data_2fq8_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2fq8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.521 -0.178 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.47 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 53.0 t80 -70.0 -23.4 63.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.274 -1.516 . . . . 0.0 110.036 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.481 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.5 t80 -67.25 -63.0 1.15 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.233 -0.917 . . . . 0.0 109.771 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -60.1 -31.5 70.09 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.194 -0.941 . . . . 0.0 109.907 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.54 -28.83 66.35 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.317 -0.865 . . . . 0.0 109.582 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -77.32 -37.31 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.353 -0.842 . . . . 0.0 109.767 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.529 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -72.64 -23.6 60.93 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.391 -0.818 . . . . 0.0 109.766 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -75.56 -46.13 33.78 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.475 -0.766 . . . . 0.0 109.805 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -67.19 -40.83 86.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.394 -0.816 . . . . 0.0 109.852 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 5.2 mp -71.93 -24.55 61.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.245 -0.909 . . . . 0.0 109.405 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -68.1 -47.99 66.72 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.0 tt0 -65.03 -53.53 44.54 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -39.8 -72.44 0.06 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.816 -0.553 . . . . 0.0 110.369 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 43.3 p90 . . . . . 0 N--CA 1.485 1.313 0 O-C-N 120.96 -1.087 . . . . 0.0 110.315 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.145 0.021 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.472 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 51.9 t80 -71.86 -22.75 61.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.043 -1.661 . . . . 0.0 110.273 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.504 ' O ' HG11 ' A' ' 11' ' ' VAL . 66.9 t80 -69.22 -61.42 1.8 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.354 -0.841 . . . . 0.0 109.796 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 1.6 p30 -56.66 -37.18 70.45 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.975 -1.078 . . . . 0.0 109.758 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -62.82 -33.85 76.08 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.504 HG11 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -72.47 -37.02 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.412 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -23.04 65.74 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.538 -0.726 . . . . 0.0 109.654 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.55 -50.94 22.15 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -69.12 -18.77 64.01 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.217 178.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.532 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -85.01 -26.23 27.2 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.653 0.74 . . . . 0.0 109.013 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.578 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -64.73 -47.33 78.65 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.009 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.3 mp0 -74.7 -48.25 26.96 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.35 -61.41 0.44 Allowed 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.48 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 11.7 m-85 . . . . . 0 N--CA 1.503 2.207 0 O-C-N 121.596 -0.69 . . . . 0.0 111.318 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -63.56 -37.88 88.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.189 -1.569 . . . . 0.0 109.952 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.474 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -63.61 -23.05 67.22 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.263 -0.898 . . . . 0.0 109.371 179.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -83.52 -40.88 18.6 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.288 -0.883 . . . . 0.0 110.99 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -33.26 75.57 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.938 -1.101 . . . . 0.0 108.842 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.488 HG21 ' N ' ' A' ' 12' ' ' ALA . 32.6 m -76.41 -45.46 34.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.642 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.488 ' N ' HG21 ' A' ' 11' ' ' VAL . . . -61.87 -24.13 66.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.405 -0.809 . . . . 0.0 110.025 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -48.41 39.31 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -22.35 65.55 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.789 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 2.9 mm? -84.67 -25.88 28.16 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -63.52 -45.93 88.36 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.111 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 mt-10 -71.53 -52.75 16.58 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.8 -59.42 0.48 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.998 -0.439 . . . . 0.0 111.408 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 16.0 m-85 . . . . . 0 N--CA 1.498 1.951 0 O-C-N 121.269 -0.894 . . . . 0.0 110.923 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.189 0.042 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.6 -23.03 63.47 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.069 -1.644 . . . . 0.0 110.806 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.8 -34.27 71.58 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.167 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -67.37 -50.17 60.87 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.435 -0.791 . . . . 0.0 109.833 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -61.88 -29.26 70.08 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -66.36 -40.54 86.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.553 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . . . -67.14 -26.97 66.94 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.841 -0.743 . . . . 0.0 109.44 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -34.7 78.03 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.668 0.747 . . . . 0.0 109.139 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -72.09 -54.38 9.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.793 -0.567 . . . . 0.0 111.727 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.608 ' CD1' ' N ' ' A' ' 16' ' ' LYS . 4.5 pp -57.36 -32.72 67.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.708 -1.245 . . . . 0.0 108.825 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.608 ' N ' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -67.99 -40.03 83.15 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . 25.1 tp10 -61.16 -61.94 2.2 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.05 -70.94 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.327 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.602 ' CZ ' HD13 ' A' ' 15' ' ' LEU . 43.4 p90 . . . . . 0 N--CA 1.485 1.279 0 O-C-N 120.858 -1.151 . . . . 0.0 110.223 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 C--O 1.211 -0.959 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.485 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 8.2 t80 -66.88 -21.61 66.0 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.523 -1.361 . . . . 0.0 109.579 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.82 -67.36 0.51 Allowed 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.523 -0.735 . . . . 0.0 109.75 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -53.02 -36.15 60.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.278 -0.889 . . . . 0.0 109.564 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 1.7 tptt -73.14 -24.25 60.56 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.309 -0.869 . . . . 0.0 109.361 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.1 t -70.46 -46.35 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.81 64.04 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.68 -37.43 82.32 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -71.08 -34.87 71.58 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.53 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 3.1 mt -70.73 -29.77 66.12 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.595 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 5.0 mttp -66.74 -45.19 79.43 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' ALA . 30.6 tt0 -62.18 -57.09 12.79 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.09 -59.53 0.61 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.941 -0.475 . . . . 0.0 111.026 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 6.0 m-30 . . . . . 0 N--CA 1.501 2.094 0 O-C-N 121.233 -0.917 . . . . 0.0 110.412 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 9' ' ' ASP . . . . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.533 0.206 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.511 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 16.8 t80 -74.74 -21.56 59.28 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.332 -1.48 . . . . 0.0 110.724 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.27 -64.51 1.04 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.28 -0.887 . . . . 0.0 110.498 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 7.8 p-10 -55.82 -37.02 68.12 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.915 . . . . 0.0 110.016 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 17.6 ttpt -64.14 -33.4 75.68 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.545 HG11 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -69.47 -37.97 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.014 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.545 ' N ' HG11 ' A' ' 11' ' ' VAL . . . -70.78 -22.36 62.39 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.613 -0.679 . . . . 0.0 109.704 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.85 -42.92 66.34 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.482 -0.762 . . . . 0.0 109.243 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -74.85 -36.64 62.34 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.762 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.579 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 19.3 mt -73.63 -24.73 60.06 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.119 -0.988 . . . . 0.0 109.797 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -51.68 20.32 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.259 -0.901 . . . . 0.0 109.029 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.5 tt0 -60.46 -55.8 29.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -37.78 -63.55 0.46 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.862 -0.524 . . . . 0.0 110.946 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 15' ' ' LEU . 9.6 m-30 . . . . . 0 N--CA 1.499 1.987 0 O-C-N 121.29 -0.881 . . . . 0.0 111.017 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.862 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.411 ' O ' HG22 ' A' ' 11' ' ' VAL . 66.3 t80 -62.15 -26.52 68.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.315 -1.491 . . . . 0.0 110.0 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.564 ' O ' HG21 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -69.95 -32.16 70.28 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.137 -0.977 . . . . 0.0 109.899 179.602 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -81.84 -28.26 33.15 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.99 -1.069 . . . . 0.0 109.9 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.46 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -73.07 -32.76 65.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 109.218 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.564 HG21 ' O ' ' A' ' 8' ' ' TYR . 10.9 m -79.45 -41.87 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.889 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -70.11 -22.72 62.99 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.027 -1.046 . . . . 0.0 109.996 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 18.5 tt0 -76.24 -48.77 19.08 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.358 -0.838 . . . . 0.0 110.29 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.554 ' CG ' ' N ' ' A' ' 15' ' ' LEU . 10.5 pttm -64.59 -45.39 87.18 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.796 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 19.2 mt -67.82 -26.04 65.87 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.406 -0.809 . . . . 0.0 109.183 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -65.46 -47.28 76.67 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.332 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -65.04 -48.96 72.01 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.395 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.68 -74.29 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.766 -0.584 . . . . 0.0 110.15 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 2.0 p90 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 120.986 -1.071 . . . . 0.0 110.576 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.449 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 4.8 t80 -66.54 -23.21 66.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 119.984 -1.697 . . . . 0.0 110.057 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -31.36 45.75 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.153 -0.967 . . . . 0.0 109.66 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -70.59 -52.0 24.52 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.405 -0.809 . . . . 0.0 109.331 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 6' ' ' ALA . 24.7 mtmt -63.89 -25.68 68.26 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 7' ' ' PHE . 2.0 t -70.04 -41.77 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.78 -22.24 60.87 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.492 -0.755 . . . . 0.0 109.317 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -72.39 -36.99 68.82 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.664 -0.647 . . . . 0.0 109.642 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 19.1 mtpt -78.41 -38.58 41.2 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.5 -0.75 . . . . 0.0 110.268 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.514 HD21 ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -69.42 -28.1 65.85 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.157 -0.964 . . . . 0.0 108.895 179.034 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 19' ' ' PHE . 1.8 tttt -69.5 -48.65 59.92 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -48.21 82.48 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.17 -75.48 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.779 -0.576 . . . . 0.0 110.728 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.514 ' CE2' HD21 ' A' ' 15' ' ' LEU . 24.5 p90 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 120.853 -1.155 . . . . 0.0 110.666 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 110.58 -0.155 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.544 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 2.7 t80 -73.36 -22.46 60.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.185 -1.572 . . . . 0.0 110.328 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.467 ' O ' HG13 ' A' ' 11' ' ' VAL . 17.6 t80 -78.7 -43.16 26.56 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.135 -0.978 . . . . 0.0 110.404 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 9.8 t70 -69.75 -38.12 76.69 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.217 -0.927 . . . . 0.0 110.326 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 6' ' ' ALA . 26.8 mmtt -70.83 -28.62 64.74 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.205 -0.934 . . . . 0.0 109.237 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.544 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -70.41 -43.55 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 119.332 -0.947 . . . . 0.0 108.683 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.486 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -72.52 -20.72 61.3 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 121.696 0.76 . . . . 0.0 109.124 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -67.67 -40.55 84.44 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.557 0.694 . . . . 0.0 109.156 179.521 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -48.54 63.18 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.136 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.549 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 6.9 mp -70.29 -21.61 62.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.03 -1.043 . . . . 0.0 109.423 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 5.5 tttt -67.76 -48.6 65.94 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -67.86 -52.93 30.98 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.533 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.54 -61.04 0.48 Allowed 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.838 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 12.6 m-30 . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.283 -0.885 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.472 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 14.3 t80 -65.84 -35.54 80.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.263 -1.523 . . . . 0.0 110.269 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.491 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -66.97 -32.85 74.37 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.12 -0.987 . . . . 0.0 110.01 179.663 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.38 -45.99 57.29 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.094 -1.004 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -66.73 -28.71 68.64 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.184 -0.947 . . . . 0.0 109.125 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.491 HG11 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -79.03 -38.26 20.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.622 179.604 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.2 63.28 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.242 -0.911 . . . . 0.0 109.425 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.4 -43.93 59.48 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.424 -0.798 . . . . 0.0 109.006 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -66.24 -38.53 88.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.397 -0.814 . . . . 0.0 109.717 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.564 HD11 ' CE1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -70.97 -28.08 64.2 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.08 -1.012 . . . . 0.0 108.902 178.811 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.1 ttmm -66.77 -43.0 85.17 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.5 tm-20 -65.91 -58.0 6.57 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.21 -60.49 0.56 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 122.004 -0.435 . . . . 0.0 110.852 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 10.1 m-85 . . . . . 0 N--CA 1.498 1.962 0 O-C-N 121.218 -0.926 . . . . 0.0 110.653 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 4.8 t80 -66.23 -45.37 80.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.288 -1.508 . . . . 0.0 110.211 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.511 ' O ' HG13 ' A' ' 11' ' ' VAL . 7.5 t80 -51.32 -37.52 48.16 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.926 -1.109 . . . . 0.0 109.493 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -76.08 -30.36 58.3 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.145 -0.972 . . . . 0.0 110.111 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -30.15 67.81 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.331 -0.856 . . . . 0.0 109.548 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.562 ' CG1' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -80.27 -49.78 18.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.775 -179.762 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.562 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -55.73 -34.39 65.12 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.906 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.9 -29.74 62.23 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.429 -0.794 . . . . 0.0 109.234 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -68.39 -66.26 0.59 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.494 -0.754 . . . . 0.0 109.996 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.457 HD21 ' HA ' ' A' ' 12' ' ' ALA . 1.3 pp -50.28 -34.29 22.87 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -35.81 75.31 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 18' ' ' ALA . 8.3 tt0 -74.45 -63.76 1.17 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -31.8 -64.34 0.16 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 120.808 0.337 . . . . 0.0 110.83 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 15' ' ' LEU . 32.2 p90 . . . . . 0 N--CA 1.484 1.23 0 O-C-N 121.005 -1.059 . . . . 0.0 110.061 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.872 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -66.46 -33.88 76.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.377 -1.452 . . . . 0.0 109.438 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.501 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -68.42 -25.94 65.28 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.248 -0.908 . . . . 0.0 108.995 178.82 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -39.74 33.11 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.427 -0.796 . . . . 0.0 110.457 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -70.12 -28.14 65.15 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.214 -0.929 . . . . 0.0 109.442 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.525 HG21 ' N ' ' A' ' 12' ' ' ALA . 27.3 m -81.16 -46.55 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.665 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.525 ' N ' HG21 ' A' ' 11' ' ' VAL . . . -67.36 -21.32 65.63 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.48 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -49.54 19.44 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 121.51 0.672 . . . . 0.0 109.434 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -31.87 72.82 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.431 -0.793 . . . . 0.0 109.666 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.589 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 50.3 mt -77.13 -25.78 52.47 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.422 -0.799 . . . . 0.0 109.198 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -68.49 -49.54 58.99 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -46.18 82.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.0 -76.11 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.729 -0.607 . . . . 0.0 110.219 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 16.7 p90 . . . . . 0 N--CA 1.487 1.381 0 O-C-N 120.985 -1.072 . . . . 0.0 110.506 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.479 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 61.7 t80 -59.95 -18.92 49.01 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.271 -1.518 . . . . 0.0 108.764 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.467 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.8 OUTLIER -69.61 -45.9 67.49 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.847 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -56.56 -53.37 58.31 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.437 -0.79 . . . . 0.0 109.145 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -20.65 66.4 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.289 -0.882 . . . . 0.0 108.799 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -63.84 -46.39 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.454 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -63.2 -30.14 71.35 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.21 -25.58 66.18 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 16.1 mttt -71.1 -58.41 3.58 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.697 -0.627 . . . . 0.0 109.793 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.574 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 2.4 mp -60.7 -28.5 68.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.024 -1.048 . . . . 0.0 108.425 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.498 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -61.62 -42.9 99.54 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.348 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' O ' ' C ' ' A' ' 18' ' ' ALA . 6.4 tt0 -72.76 -61.91 1.64 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.76 -54.18 0.11 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 122.123 -0.36 . . . . 0.0 111.719 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 12.6 m-85 . . . . . 0 N--CA 1.498 1.969 0 O-C-N 120.989 -1.07 . . . . 0.0 110.431 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.509 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 45.8 t80 -66.21 -27.02 67.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 119.93 -1.731 . . . . 0.0 110.393 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.469 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -65.11 -44.35 89.05 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.25 -0.906 . . . . 0.0 109.687 179.53 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -62.16 -47.26 85.29 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -67.99 -21.82 65.04 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.216 -0.927 . . . . 0.0 109.589 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -71.18 -44.59 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.3 -0.875 . . . . 0.0 109.265 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.515 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -69.79 -22.75 63.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.596 -0.69 . . . . 0.0 109.892 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -72.53 -40.7 66.57 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.325 -0.859 . . . . 0.0 109.228 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.26 -20.05 52.45 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.509 -0.744 . . . . 0.0 109.903 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 1.2 mp -79.33 -31.11 43.03 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.187 -0.946 . . . . 0.0 108.524 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -65.49 -47.38 76.21 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -42.31 92.94 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 15' ' ' LEU . . . -44.84 -74.6 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.876 -0.515 . . . . 0.0 110.734 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 N--CA 1.487 1.39 0 O-C-N 120.789 -1.194 . . . . 0.0 110.796 -179.661 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 25.6 t80 -70.58 -22.79 62.53 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.263 -1.523 . . . . 0.0 110.44 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.487 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.03 -64.27 0.94 Allowed 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.035 -1.041 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -54.59 -28.57 47.24 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.016 -1.052 . . . . 0.0 109.309 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -29.8 61.64 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.523 HG11 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -76.69 -37.94 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 109.888 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' N ' HG11 ' A' ' 11' ' ' VAL . . . -72.18 -26.28 62.01 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.336 -0.853 . . . . 0.0 109.302 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.75 -30.94 51.78 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.475 -0.766 . . . . 0.0 109.961 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -76.65 -48.55 18.69 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.165 -0.959 . . . . 0.0 109.91 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 2.3 mm? -70.38 -24.69 62.99 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.284 -0.885 . . . . 0.0 109.336 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 16.4 ttmt -71.62 -50.82 27.15 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.487 -0.758 . . . . 0.0 109.037 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -44.28 95.62 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.13 -75.56 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.097 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 16' ' ' LYS . 19.2 p90 . . . . . 0 N--CA 1.486 1.369 0 O-C-N 120.848 -1.158 . . . . 0.0 110.563 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 110.853 -0.054 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -72.08 -40.91 67.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.056 -1.653 . . . . 0.0 109.69 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.493 ' HA ' HG23 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -59.27 -19.09 43.07 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.243 -0.911 . . . . 0.0 109.262 178.834 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.79 -45.33 13.44 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.459 -0.776 . . . . 0.0 111.229 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -32.47 74.03 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.96 -1.088 . . . . 0.0 108.817 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 8' ' ' TYR . 34.0 m -75.88 -44.77 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.488 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.04 -23.83 66.7 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.311 -0.868 . . . . 0.0 109.514 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.99 -47.12 63.46 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -66.25 -24.95 66.67 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.155 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -77.02 -30.24 55.71 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -63.83 -41.97 97.74 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.9 tt0 -70.37 -59.15 3.03 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.31 -57.51 0.49 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.934 -0.479 . . . . 0.0 111.382 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.5 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 8.1 m-30 . . . . . 0 N--CA 1.498 1.927 0 O-C-N 121.144 -0.972 . . . . 0.0 110.733 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 11' ' ' VAL . 55.0 t80 -68.06 -20.94 65.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.336 -1.478 . . . . 0.0 109.966 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.494 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 2.5 t80 -73.06 -35.05 66.62 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.234 -0.916 . . . . 0.0 109.455 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.497 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 28.4 t70 -77.7 -34.63 52.74 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.342 -0.849 . . . . 0.0 109.627 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -68.08 -29.82 68.86 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.269 -0.895 . . . . 0.0 109.304 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 7' ' ' PHE . 27.2 m -81.08 -43.38 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 119.566 -0.854 . . . . 0.0 110.724 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.498 ' N ' HG21 ' A' ' 11' ' ' VAL . . . -68.5 -25.4 64.94 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.12 -0.987 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -82.38 -37.29 25.82 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.236 -0.915 . . . . 0.0 110.612 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -33.42 66.68 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.986 -1.071 . . . . 0.0 110.098 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.587 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.4 mm? -82.65 -25.17 33.34 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.222 -0.924 . . . . 0.0 108.787 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -66.52 -49.93 64.87 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.134 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.5 mm-40 -67.27 -44.92 78.13 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.19 -75.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.804 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 7.6 p90 . . . . . 0 N--CA 1.487 1.383 0 O-C-N 121.018 -1.051 . . . . 0.0 110.18 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.459 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 67.9 t80 -69.02 -21.76 64.11 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.281 -1.512 . . . . 0.0 109.882 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' HG12 ' A' ' 11' ' ' VAL . 26.9 t80 -67.3 -68.32 0.39 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.379 -0.825 . . . . 0.0 109.781 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.01 -30.88 62.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.158 -0.964 . . . . 0.0 109.736 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -29.41 67.24 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.342 -0.848 . . . . 0.0 109.47 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.523 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -76.87 -37.39 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.336 -0.853 . . . . 0.0 109.812 179.83 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.52 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -73.68 -23.29 59.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.426 -0.796 . . . . 0.0 109.587 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -44.9 48.37 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.513 -0.742 . . . . 0.0 109.535 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -72.2 -30.41 64.92 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.369 -0.832 . . . . 0.0 109.881 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 6.5 mp -76.23 -26.2 55.83 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.309 -0.869 . . . . 0.0 109.271 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 1.3 mmtt -67.86 -48.14 66.97 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.26 -48.01 77.37 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.62 -77.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.729 -0.607 . . . . 0.0 110.166 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 12.9 p90 . . . . . 0 N--CA 1.488 1.43 0 O-C-N 121.003 -1.06 . . . . 0.0 110.436 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 11.2 t80 -66.12 -19.5 65.86 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.363 -1.461 . . . . 0.0 109.049 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.479 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.63 -50.87 32.36 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.627 -0.67 . . . . 0.0 109.429 179.219 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -61.05 -40.29 93.07 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.276 -0.89 . . . . 0.0 109.363 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -67.85 -27.1 66.4 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.417 -0.802 . . . . 0.0 109.377 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -71.69 -42.25 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.879 . . . . 0.0 109.176 179.459 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.484 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -73.55 -20.74 60.56 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.566 -0.709 . . . . 0.0 110.014 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.81 -43.68 58.07 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.519 -0.738 . . . . 0.0 109.85 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -71.45 -40.81 70.11 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.526 -0.734 . . . . 0.0 109.684 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.0 mm? -70.66 -25.31 62.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.297 -0.877 . . . . 0.0 109.016 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -68.58 -47.67 66.19 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.748 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -58.35 -51.17 70.94 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -41.19 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.027 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 20.1 p90 . . . . . 0 N--CA 1.486 1.365 0 O-C-N 120.818 -1.176 . . . . 0.0 110.609 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.558 ' CE1' HG23 ' A' ' 11' ' ' VAL . 27.4 t80 -66.44 -19.36 65.77 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.18 -1.575 . . . . 0.0 109.669 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -67.31 0.61 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.495 -0.753 . . . . 0.0 110.129 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.28 -41.79 65.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.292 -0.88 . . . . 0.0 110.165 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 1.2 mtmt -62.58 -30.96 71.71 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.206 -0.934 . . . . 0.0 108.739 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -70.79 -36.56 65.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.294 179.523 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -69.98 -27.29 64.59 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.424 -0.797 . . . . 0.0 109.547 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.44 -35.72 68.37 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.379 -0.826 . . . . 0.0 109.903 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -76.85 -37.75 55.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.498 -0.751 . . . . 0.0 110.947 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 4.9 mp -75.77 -24.37 56.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.976 -1.078 . . . . 0.0 110.34 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -73.06 -54.92 7.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.454 -0.898 . . . . 0.0 108.648 179.46 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.75 -39.31 84.33 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.04 -79.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.869 -0.519 . . . . 0.0 110.056 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 8.0 p90 . . . . . 0 N--CA 1.487 1.398 0 O-C-N 121.001 -1.062 . . . . 0.0 110.642 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.428 0.156 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.512 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.6 OUTLIER -70.73 -30.36 66.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.525 -1.359 . . . . 0.0 110.287 -179.792 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.492 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -68.15 -52.18 37.5 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.088 -1.007 . . . . 0.0 110.168 179.826 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -34.79 79.27 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.252 -0.905 . . . . 0.0 110.728 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 2.3 tppm? -73.98 -26.09 60.27 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.177 -0.952 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -75.3 -43.38 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 109.443 179.798 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -67.11 -24.55 65.94 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.157 179.147 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -37.6 68.35 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.586 -0.696 . . . . 0.0 109.718 179.478 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 5.7 tttm -76.53 -33.69 58.57 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.36 -0.837 . . . . 0.0 110.692 -179.798 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.524 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.9 mp -74.85 -28.09 60.53 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.129 -0.982 . . . . 0.0 109.339 179.385 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -71.45 -46.51 59.79 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.23 -48.28 76.43 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -46.04 -71.18 0.08 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.76 -0.587 . . . . 0.0 110.879 179.245 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 20.2 p90 . . . . . 0 N--CA 1.488 1.439 0 O-C-N 120.741 -1.224 . . . . 0.0 110.665 -179.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' HD3' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.525 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 79.9 t80 -66.19 -14.88 62.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.204 -1.56 . . . . 0.0 109.491 179.504 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.45 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 1.7 t80 -77.67 -65.3 0.98 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.53 -0.732 . . . . 0.0 109.826 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -52.48 -38.9 60.47 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.657 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -66.38 -31.04 71.56 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.674 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 7' ' ' PHE . 2.6 t -72.96 -36.53 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.156 179.286 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.35 62.54 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.471 -0.768 . . . . 0.0 109.128 178.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -76.1 -30.5 58.3 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -80.17 -28.87 38.7 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.525 -0.734 . . . . 0.0 109.189 179.073 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.583 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 5.9 mp -78.87 -28.51 44.19 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.394 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.568 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 9.7 tptp -71.74 -47.19 55.48 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -59.97 -57.17 14.03 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.115 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.52 -64.43 0.43 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.83 -0.544 . . . . 0.0 110.71 178.702 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 8.2 m-30 . . . . . 0 N--CA 1.5 2.068 0 O-C-N 121.336 -0.852 . . . . 0.0 110.826 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.793 -0.077 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.546 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 6.2 t80 -70.84 -23.53 62.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.285 -1.509 . . . . 0.0 111.275 -179.505 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -49.52 18.17 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.94 -1.1 . . . . 0.0 109.788 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -37.0 86.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.404 -0.81 . . . . 0.0 109.942 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -66.05 -33.38 75.65 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.003 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -77.27 -30.36 17.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.338 179.3 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -74.04 -25.15 59.7 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.394 -0.816 . . . . 0.0 109.586 179.144 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.77 -44.28 56.52 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.577 -0.702 . . . . 0.0 109.175 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 31.9 mttt -69.82 -34.08 73.19 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.364 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 3.2 mm? -74.5 -28.38 60.98 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.547 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -70.28 -51.04 33.45 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.016 179.871 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ALA . 25.9 mm-40 -60.16 -53.05 62.31 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.091 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.06 -64.45 0.41 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.921 -0.487 . . . . 0.0 110.817 178.826 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 . . . . . 0 N--CA 1.502 2.13 0 O-C-N 121.392 -0.818 . . . . 0.0 111.08 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.487 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 13.8 t80 -60.64 -29.41 69.24 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.053 -1.654 . . . . 0.0 109.066 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.463 ' O ' HG13 ' A' ' 11' ' ' VAL . 2.3 t80 -68.67 -34.68 76.11 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -62.57 -59.99 4.15 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.481 -0.762 . . . . 0.0 109.883 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -30.33 62.05 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -61.76 -35.68 69.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.49 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.501 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -68.11 -27.45 66.48 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.797 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -37.01 86.23 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.322 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -47.81 62.04 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.394 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 25.0 mt -68.15 -25.09 65.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.044 -1.035 . . . . 0.0 109.365 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 19' ' ' PHE . 6.3 tptp -69.11 -46.42 67.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.695 0.759 . . . . 0.0 109.051 179.347 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -50.51 71.07 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.446 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.3 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.207 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 3.9 p90 . . . . . 0 N--CA 1.488 1.439 0 O-C-N 120.914 -1.116 . . . . 0.0 110.691 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.603 ' CE1' ' CG2' ' A' ' 11' ' ' VAL . 1.2 t80 -66.53 -28.71 68.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.557 -1.339 . . . . 0.0 109.87 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -68.6 -38.26 80.49 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.453 -0.779 . . . . 0.0 109.597 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.19 -56.27 15.9 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.472 -0.768 . . . . 0.0 110.485 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -66.12 -22.4 66.39 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.14 -0.975 . . . . 0.0 109.264 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.603 ' CG2' ' CE1' ' A' ' 7' ' ' PHE . 2.7 t -76.12 -38.53 34.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.381 179.504 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.53 -23.42 61.0 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.488 -0.758 . . . . 0.0 109.258 178.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.4 -43.83 59.69 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.522 -0.736 . . . . 0.0 109.563 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -68.86 -39.06 80.09 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.385 -0.822 . . . . 0.0 109.531 179.274 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.588 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 3.0 mp -66.19 -29.68 70.0 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 30.0 tttm -62.22 -43.65 98.35 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.814 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' ALA . 30.6 mt-10 -65.96 -56.84 9.62 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.557 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -37.35 -71.94 0.07 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.131 0.491 . . . . 0.0 110.333 179.099 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 2.3 p90 . . . . . 0 N--CA 1.486 1.349 0 O-C-N 121.007 -1.058 . . . . 0.0 110.073 179.764 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.34 0.114 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.54 -10.93 59.89 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.288 -1.508 . . . . 0.0 110.076 -179.481 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -74.6 -58.04 3.54 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.295 -0.878 . . . . 0.0 109.035 179.295 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.65 -35.49 76.34 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.366 -0.834 . . . . 0.0 109.18 178.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.47 -33.18 74.34 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.659 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.39 -37.17 74.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.38 -24.33 64.77 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.464 -0.772 . . . . 0.0 110.058 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' OE2' ' HE3' ' A' ' 16' ' ' LYS . 22.2 mm-40 -72.82 -43.08 63.14 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.333 -0.854 . . . . 0.0 109.55 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -38.9 81.58 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.258 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.53 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 9.2 mp -76.36 -21.8 55.65 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.226 -0.921 . . . . 0.0 109.295 179.334 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HE3' ' OE2' ' A' ' 13' ' ' GLU . 9.8 ttpp -65.45 -46.52 79.55 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.048 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 mt-10 -71.79 -53.68 12.58 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.309 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -33.7 -58.39 0.42 Allowed 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.179 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 9.4 m-30 . . . . . 0 N--CA 1.497 1.896 0 O-C-N 121.365 -0.834 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 8.9 t80 -70.48 -26.38 63.59 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.321 -1.487 . . . . 0.0 110.102 179.737 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.474 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -67.17 -67.46 0.45 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.309 -0.869 . . . . 0.0 109.91 179.672 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -57.22 -30.84 64.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.18 -0.95 . . . . 0.0 109.883 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -69.33 -29.41 67.23 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.365 -0.834 . . . . 0.0 109.362 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.52 HG11 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -76.64 -38.34 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.398 -0.814 . . . . 0.0 109.653 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.52 ' N ' HG11 ' A' ' 11' ' ' VAL . . . -72.02 -23.92 61.47 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.347 -0.845 . . . . 0.0 109.598 179.266 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -74.49 -43.55 55.5 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.428 -0.795 . . . . 0.0 109.481 179.695 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -44.34 81.48 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.396 -0.815 . . . . 0.0 109.846 179.681 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.568 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 5.1 mt -70.01 -24.26 63.26 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.196 -0.94 . . . . 0.0 109.36 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -66.51 -47.39 73.1 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.284 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.2 mm-40 -66.31 -56.94 8.73 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.427 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.64 -60.84 0.42 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 122.057 -0.402 . . . . 0.0 111.188 179.094 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 11.2 m-30 . . . . . 0 N--CA 1.498 1.937 0 O-C-N 121.249 -0.907 . . . . 0.0 110.871 -179.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -73.41 -13.99 61.18 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 120.338 -1.476 . . . . 0.0 109.619 179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.487 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.75 -61.23 1.86 Allowed 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.523 -0.735 . . . . 0.0 109.383 179.515 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.11 -30.55 70.43 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.129 -0.982 . . . . 0.0 109.907 179.609 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -31.37 69.63 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.252 -0.905 . . . . 0.0 109.268 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -72.74 -37.46 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.344 -0.847 . . . . 0.0 109.036 179.29 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.531 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -71.11 -21.22 62.24 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 121.685 0.755 . . . . 0.0 109.396 179.28 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.93 -49.28 30.4 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.442 -0.786 . . . . 0.0 109.499 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -65.67 -41.48 92.44 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.805 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.581 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -66.13 -28.15 68.58 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.195 -0.941 . . . . 0.0 109.0 178.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.585 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -66.45 -45.01 81.21 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.288 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' ALA . 71.2 mm-40 -63.31 -57.83 9.11 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.616 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.11 -60.04 0.58 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.08 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 5.3 m-30 . . . . . 0 N--CA 1.5 2.052 0 O-C-N 121.13 -0.981 . . . . 0.0 110.69 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.487 ' O ' HG22 ' A' ' 11' ' ' VAL . 71.1 t80 -70.56 -23.35 62.59 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.366 -1.459 . . . . 0.0 110.144 179.805 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.4 t80 -73.64 -36.02 65.36 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.286 -0.883 . . . . 0.0 110.192 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 28.0 t0 -77.79 -33.99 52.37 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.082 -1.011 . . . . 0.0 109.757 179.423 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -29.82 66.67 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.267 -0.896 . . . . 0.0 109.651 179.277 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.518 HG21 ' N ' ' A' ' 12' ' ' ALA . 34.6 m -79.71 -43.04 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.337 -0.852 . . . . 0.0 110.064 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.518 ' N ' HG21 ' A' ' 11' ' ' VAL . . . -68.92 -23.35 64.16 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.172 -0.955 . . . . 0.0 109.921 179.585 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 6.5 mm-40 -76.35 -46.69 26.35 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.362 -0.836 . . . . 0.0 110.022 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -66.54 -38.77 87.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.832 . . . . 0.0 110.135 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 3.8 mm? -75.87 -23.4 55.64 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.213 -0.929 . . . . 0.0 109.331 179.25 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -67.65 -46.95 70.95 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.072 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -67.36 -49.51 63.66 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.421 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.67 -73.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.816 -0.553 . . . . 0.0 110.194 178.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 4.6 p90 . . . . . 0 N--CA 1.487 1.38 0 O-C-N 121.053 -1.03 . . . . 0.0 110.245 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -70.56 -20.78 62.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.413 -1.43 . . . . 0.0 110.492 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.491 ' O ' HG11 ' A' ' 11' ' ' VAL . 2.8 t80 -67.9 -56.91 7.29 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.114 -0.991 . . . . 0.0 108.972 179.341 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 10.5 m-20 -66.14 -24.43 66.67 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.249 -0.907 . . . . 0.0 109.269 179.006 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -64.92 -38.08 89.79 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.653 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.539 HG11 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -71.38 -36.94 63.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.867 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.539 ' N ' HG11 ' A' ' 11' ' ' VAL . . . -67.57 -21.51 65.43 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.544 0.688 . . . . 0.0 109.537 179.312 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -50.3 25.14 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.449 -0.782 . . . . 0.0 109.215 179.468 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -70.58 -23.08 62.53 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.727 -0.789 . . . . 0.0 109.737 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.565 ' HG ' ' CE1' ' A' ' 19' ' ' PHE . 10.5 tp -79.72 -26.97 40.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.346 -0.846 . . . . 0.0 108.76 178.722 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.2 ttpt -68.5 -50.98 48.16 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.662 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . 8.5 tp10 -52.25 -58.01 7.94 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.828 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.74 -62.73 0.46 Allowed 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.77 178.597 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CE1' ' HG ' ' A' ' 15' ' ' LEU . 11.1 m-30 . . . . . 0 N--CA 1.497 1.906 0 O-C-N 121.311 -0.868 . . . . 0.0 110.992 -179.757 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -67.31 -19.02 65.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.331 -1.481 . . . . 0.0 110.276 179.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.512 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -72.34 -61.13 1.9 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.103 -0.998 . . . . 0.0 110.155 179.78 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 2.7 p30 -62.53 -30.69 71.48 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.0 -1.063 . . . . 0.0 110.637 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 26.8 tttt -66.51 -33.37 75.53 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.115 -0.991 . . . . 0.0 109.027 179.414 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.512 HG11 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -74.04 -44.27 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.668 179.65 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 16' ' ' LYS . . . -67.05 -23.09 65.85 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.6 -0.687 . . . . 0.0 109.901 179.666 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 13.4 tt0 -72.66 -44.84 61.32 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.386 -0.821 . . . . 0.0 110.077 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -72.23 -38.37 68.95 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.21 -0.931 . . . . 0.0 111.34 -179.181 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -27.91 62.72 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.874 -1.141 . . . . 0.0 109.963 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.581 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -72.5 -32.01 65.82 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.438 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.581 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -74.89 -47.72 28.58 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.57 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -42.08 -71.65 0.08 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.781 -0.574 . . . . 0.0 110.003 178.267 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 N--CA 1.488 1.465 0 O-C-N 120.814 -1.179 . . . . 0.0 110.547 179.744 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.825 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 26.1 t80 -71.06 -26.21 62.97 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.332 -1.48 . . . . 0.0 110.102 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.483 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -67.57 -52.41 38.94 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.278 -0.889 . . . . 0.0 109.989 179.853 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -66.03 -35.34 80.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.074 -1.016 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -28.88 67.51 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.289 -0.882 . . . . 0.0 109.551 179.618 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.541 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -76.99 -37.29 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.704 179.776 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.541 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -73.07 -23.0 60.5 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.483 -0.761 . . . . 0.0 109.681 179.211 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -73.57 -46.76 45.42 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.39 -0.819 . . . . 0.0 109.133 179.424 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -30.65 68.5 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.647 179.34 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.4 mt -75.54 -26.0 57.66 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.354 -0.841 . . . . 0.0 109.247 179.127 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.555 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.02 -46.14 78.94 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.102 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' ALA . 68.7 mt-10 -66.52 -56.32 11.38 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.322 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.11 -60.04 0.48 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.993 -0.442 . . . . 0.0 111.075 179.099 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 10.3 m-30 . . . . . 0 N--CA 1.499 2.005 0 O-C-N 121.304 -0.872 . . . . 0.0 110.924 -179.701 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.584 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 1.8 t80 -70.28 -36.29 74.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.091 -1.631 . . . . 0.0 110.725 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.451 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -62.26 -57.07 12.75 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 109.746 179.833 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 5.7 t0 -54.88 -40.39 69.7 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.471 -0.768 . . . . 0.0 110.789 -179.369 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -69.84 -27.98 65.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.01 -1.056 . . . . 0.0 109.458 179.657 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.545 HG23 ' CE1' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -73.99 -44.23 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.366 -0.834 . . . . 0.0 109.267 179.74 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -71.72 -18.1 62.17 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.744 0.783 . . . . 0.0 109.615 179.347 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 19.2 tt0 -73.52 -46.5 47.39 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.665 -0.647 . . . . 0.0 109.674 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -36.77 68.24 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.24 -0.912 . . . . 0.0 110.333 179.838 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 24.7 mt -74.63 -22.92 58.67 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.027 -1.046 . . . . 0.0 109.54 179.533 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 16' ' ' LYS . 1.6 tppp? -68.84 -45.22 71.68 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.047 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.48 -46.66 63.32 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.217 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.8 -73.85 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.633 -0.667 . . . . 0.0 110.426 178.846 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 2.3 p90 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.047 -1.033 . . . . 0.0 110.381 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 37.2 t80 -71.4 -26.64 62.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.38 -1.45 . . . . 0.0 110.416 179.755 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.468 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.58 -49.18 56.57 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.201 -0.937 . . . . 0.0 108.945 179.41 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -53.57 -49.79 66.96 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.321 178.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -68.04 -22.62 64.95 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.368 -0.832 . . . . 0.0 109.382 179.161 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.507 HG11 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -66.23 -44.26 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.236 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.507 ' N ' HG11 ' A' ' 11' ' ' VAL . . . -69.23 -23.62 63.9 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.452 0.644 . . . . 0.0 109.353 179.051 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.58 -39.22 81.07 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.013 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -33.44 64.52 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.592 -0.692 . . . . 0.0 109.22 179.023 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.533 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -71.85 -27.12 62.68 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.822 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -69.23 -52.54 26.75 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -56.48 -40.25 74.6 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.836 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.4 -78.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.81 178.573 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 33.0 p90 . . . . . 0 N--CA 1.487 1.376 0 O-C-N 121.071 -1.018 . . . . 0.0 110.408 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.489 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 9.9 t80 -69.34 -26.94 64.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.417 -1.427 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.491 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -70.01 -49.59 49.97 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.106 -0.997 . . . . 0.0 109.855 179.525 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -64.58 -37.23 86.84 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.178 -0.952 . . . . 0.0 110.123 179.814 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -26.43 63.88 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.347 -0.846 . . . . 0.0 109.484 179.843 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -75.84 -40.32 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.272 -0.892 . . . . 0.0 109.79 179.677 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -76.13 -21.25 56.82 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.266 -0.896 . . . . 0.0 109.638 179.344 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.82 -38.02 62.17 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.548 -0.72 . . . . 0.0 109.861 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -74.06 -41.52 61.62 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.323 -0.861 . . . . 0.0 109.979 179.708 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 10.1 mp -72.37 -24.79 61.32 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.119 -0.988 . . . . 0.0 109.129 179.021 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.588 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 2.6 ttpt -69.98 -48.86 56.54 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.221 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -60.09 -53.78 53.69 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.363 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.42 -64.37 0.43 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.76 -0.587 . . . . 0.0 110.518 178.714 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.9 m-30 . . . . . 0 N--CA 1.499 2.006 0 O-C-N 121.358 -0.839 . . . . 0.0 110.664 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.518 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 61.7 t80 -68.62 -27.82 66.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.25 -1.531 . . . . 0.0 109.874 179.738 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.496 ' C ' HG22 ' A' ' 11' ' ' VAL . 1.5 t80 -71.13 -30.74 66.87 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 179.803 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -80.13 -38.15 32.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.127 -0.983 . . . . 0.0 110.335 179.614 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -70.53 -28.14 64.7 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.183 -0.948 . . . . 0.0 109.468 179.618 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 7' ' ' PHE . 32.7 m -80.45 -46.12 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.347 -0.845 . . . . 0.0 109.835 179.759 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.517 ' N ' HG21 ' A' ' 11' ' ' VAL . . . -66.94 -23.64 65.99 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.205 -0.935 . . . . 0.0 109.717 179.391 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -74.64 -46.11 40.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.41 -0.806 . . . . 0.0 109.598 179.736 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -45.85 88.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.363 -0.836 . . . . 0.0 109.998 179.83 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.577 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mm? -69.88 -24.31 63.39 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.088 -1.008 . . . . 0.0 109.294 179.339 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.56 -45.31 87.62 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.213 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -70.7 -57.26 4.87 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.469 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -33.05 -58.26 0.37 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.417 179.283 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 9.9 m-30 . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.337 -0.852 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.636 -0.135 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.466 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 74.8 t80 -69.58 -29.07 66.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.222 -1.549 . . . . 0.0 110.69 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -39.76 76.62 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.329 -0.857 . . . . 0.0 110.138 179.944 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 13' ' ' GLU . 5.4 m-20 -69.67 -42.42 74.19 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.429 -0.795 . . . . 0.0 110.404 -179.866 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -68.03 -27.88 66.91 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.197 179.402 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -76.6 -46.9 30.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.31 -0.868 . . . . 0.0 109.725 179.888 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -66.57 -24.06 66.3 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 109.91 179.487 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.568 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.48 -33.94 60.84 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.268 -0.895 . . . . 0.0 109.64 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.568 ' N ' ' HG3' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -71.84 -45.53 61.11 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.054 -1.029 . . . . 0.0 110.223 179.393 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.486 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 6.8 mt -71.96 -23.42 61.44 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.142 -0.974 . . . . 0.0 109.5 179.391 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 10.0 tttp -64.14 -45.46 88.38 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.272 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.4 mm-40 -73.08 -53.99 9.67 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.582 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.99 -57.83 0.37 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 122.134 -0.354 . . . . 0.0 111.368 179.245 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' A' ' 15' ' ' LEU . 8.8 m-30 . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.182 -0.949 . . . . 0.0 110.665 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.474 ' O ' HG22 ' A' ' 11' ' ' VAL . 11.7 t80 -57.52 -20.7 33.23 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.485 -1.384 . . . . 0.0 109.817 178.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.555 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.92 -37.76 76.03 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.706 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 4.4 t0 -75.04 -27.56 60.09 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.324 -0.86 . . . . 0.0 109.408 178.869 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -30.65 63.36 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.518 -0.739 . . . . 0.0 109.383 179.135 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 16.4 m -78.5 -42.04 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.459 179.515 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.449 ' N ' HG21 ' A' ' 11' ' ' VAL . . . -69.83 -24.56 63.47 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.235 -0.916 . . . . 0.0 109.247 178.808 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 75.1 tt0 -74.72 -39.0 62.17 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.572 -0.705 . . . . 0.0 110.256 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.37 -52.0 38.03 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.282 -0.886 . . . . 0.0 109.936 179.807 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -28.02 69.65 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.937 -1.102 . . . . 0.0 108.514 178.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -63.1 -42.42 99.58 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.567 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' ALA . 35.8 mt-10 -65.58 -57.45 8.15 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.204 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.17 -58.42 0.31 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.034 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.0 m-30 . . . . . 0 N--CA 1.496 1.839 0 O-C-N 121.101 -0.999 . . . . 0.0 110.545 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.488 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -59.63 -30.24 68.57 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.578 -1.326 . . . . 0.0 110.054 179.418 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -43.38 72.14 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.341 -0.849 . . . . 0.0 109.878 179.764 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -60.28 -53.57 56.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.271 -0.893 . . . . 0.0 110.283 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -22.19 65.83 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.33 -0.856 . . . . 0.0 109.591 179.797 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.488 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -69.93 -50.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 119.512 -0.875 . . . . 0.0 108.736 179.296 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -67.33 -23.56 65.63 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.63 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -66.96 -34.4 77.67 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.105 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -69.35 -45.89 68.3 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.535 179.265 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.547 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 5.8 mt -69.13 -25.15 64.24 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.158 -0.964 . . . . 0.0 109.316 179.303 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 12.4 tptt -67.39 -47.93 68.88 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.562 -0.711 . . . . 0.0 109.121 179.448 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.4 tt0 -64.85 -51.33 62.62 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.568 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.71 -70.06 0.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.317 178.748 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 13.5 p90 . . . . . 0 N--CA 1.486 1.359 0 O-C-N 120.96 -1.087 . . . . 0.0 110.325 179.678 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -65.14 -11.99 46.12 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.335 -1.478 . . . . 0.0 108.865 178.461 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.83 -38.25 67.2 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 178.82 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -70.16 -37.03 75.11 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.857 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -68.99 -29.13 67.27 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.884 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -77.33 -38.21 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.371 -0.83 . . . . 0.0 109.837 179.732 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -72.29 -23.52 61.19 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 179.078 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -74.02 -44.04 55.85 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.547 -0.721 . . . . 0.0 109.406 179.548 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -73.62 -28.27 61.72 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.428 -0.795 . . . . 0.0 110.018 179.729 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -76.92 -27.93 55.09 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.4 179.295 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -48.04 69.39 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.183 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.5 mm-40 -62.26 -52.64 62.9 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.96 -63.14 0.39 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.974 -0.454 . . . . 0.0 111.075 179.156 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' A' ' 15' ' ' LEU . 6.2 m-30 . . . . . 0 N--CA 1.499 2.005 0 O-C-N 121.318 -0.864 . . . . 0.0 110.527 -179.685 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.478 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 37.8 t80 -69.15 -23.14 63.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.29 -1.506 . . . . 0.0 110.138 179.874 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.483 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -68.51 -47.63 66.48 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.273 -0.892 . . . . 0.0 110.197 179.805 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.77 -35.09 76.63 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.154 -0.966 . . . . 0.0 110.338 -179.894 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -26.27 62.13 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.145 -0.972 . . . . 0.0 109.859 179.753 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -77.75 -42.97 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.221 -0.924 . . . . 0.0 109.67 179.736 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.452 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -73.23 -21.84 60.56 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.299 -0.876 . . . . 0.0 109.239 178.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.71 -42.06 64.58 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.566 -0.709 . . . . 0.0 109.412 179.433 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -70.32 -39.74 74.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.485 -0.759 . . . . 0.0 109.973 179.716 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -70.32 -26.02 63.58 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.207 -0.933 . . . . 0.0 109.547 179.332 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -70.29 -51.51 29.86 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.697 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 28.1 mt-10 -58.24 -48.5 80.2 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.33 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.2 -77.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.796 -0.565 . . . . 0.0 110.21 178.882 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 41.6 p90 . . . . . 0 N--CA 1.486 1.338 0 O-C-N 121.095 -1.003 . . . . 0.0 110.356 -179.844 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 10.6 t80 -70.2 -26.61 63.96 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.215 -1.553 . . . . 0.0 109.758 179.715 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -37.78 74.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.333 -0.854 . . . . 0.0 109.494 179.385 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.98 -40.69 68.41 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.416 -0.802 . . . . 0.0 110.298 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -27.52 65.89 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.287 -0.883 . . . . 0.0 108.967 179.221 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.473 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -74.78 -49.24 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 O-C-N 121.364 -0.835 . . . . 0.0 108.901 179.382 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.22 -23.11 67.28 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.081 178.963 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -67.82 -46.61 71.37 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.796 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.13 -36.08 82.41 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.343 179.061 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.575 HD13 ' CE2' ' A' ' 19' ' ' PHE . 1.8 mm? -78.27 -21.22 50.14 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.523 -0.736 . . . . 0.0 109.406 179.317 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -68.75 -57.07 6.15 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.011 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.0 tt0 -60.96 -43.68 98.38 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.055 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.494 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . . . -40.61 -73.33 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.102 178.75 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CE2' HD13 ' A' ' 15' ' ' LEU . 1.1 p90 . . . . . 0 N--CA 1.487 1.389 0 O-C-N 120.903 -1.123 . . . . 0.0 110.275 179.824 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.534 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 26.4 t80 -67.05 -24.56 65.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.309 -1.494 . . . . 0.0 109.917 179.737 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -62.57 1.46 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.318 -0.864 . . . . 0.0 110.554 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.81 -40.65 89.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 0.0 110.76 -179.496 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -68.05 -24.2 65.05 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.035 -1.041 . . . . 0.0 109.665 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 7' ' ' PHE . 2.6 t -76.44 -41.06 35.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 O-C-N 121.405 -0.81 . . . . 0.0 109.715 179.695 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.34 -22.44 61.91 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.379 -0.825 . . . . 0.0 110.016 179.647 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -75.24 -48.98 20.8 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.342 -0.849 . . . . 0.0 109.444 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -31.58 71.78 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.494 -0.754 . . . . 0.0 109.627 179.521 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 4.9 mt -75.01 -27.36 60.09 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.377 -0.827 . . . . 0.0 108.994 179.033 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 50.5 tptt -64.7 -43.75 92.48 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.096 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.5 mt-10 -68.77 -57.18 5.99 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.412 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.8 -59.7 0.47 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.97 -0.456 . . . . 0.0 111.216 179.218 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 12.9 m-85 . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.182 -0.949 . . . . 0.0 110.716 -179.848 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -68.42 -21.56 64.66 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.184 -1.572 . . . . 0.0 110.157 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.486 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -70.14 -71.22 0.25 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.21 -0.931 . . . . 0.0 109.289 179.042 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -49.79 -32.49 14.09 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.074 -1.016 . . . . 0.0 108.7 178.713 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 20.7 mttm -66.06 -32.26 73.62 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.687 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.551 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -69.92 -34.11 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.194 179.562 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.551 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -73.1 -24.68 60.67 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.986 179.448 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -45.03 46.81 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 121.265 -0.897 . . . . 0.0 109.646 179.723 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -70.59 -35.12 72.85 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.313 -0.867 . . . . 0.0 109.938 179.672 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 11' ' ' VAL . 4.8 mp -68.69 -31.02 69.82 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.464 -0.773 . . . . 0.0 109.065 179.243 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 4.3 tptp -68.32 -46.3 70.61 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.182 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 tt0 -57.66 -63.05 1.37 Allowed 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.338 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.17 -59.79 0.42 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 122.059 -0.401 . . . . 0.0 111.116 179.22 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.9 m-30 . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.28 -0.887 . . . . 0.0 110.36 -179.981 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.494 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 51.8 t80 -57.88 -20.4 36.49 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.357 -1.464 . . . . 0.0 108.793 178.695 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.14 -51.44 53.9 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.548 0.69 . . . . 0.0 109.697 179.447 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -58.52 -52.16 66.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.869 . . . . 0.0 110.207 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 50.9 mttm -61.06 -26.41 67.62 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.214 -0.929 . . . . 0.0 108.676 179.395 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -66.6 -39.79 84.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.63 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.22 -23.79 64.85 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 120.075 -0.65 . . . . 0.0 109.667 179.204 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 1.8 mm-40 -68.02 -46.41 71.31 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.039 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 66.2 tttt -64.06 -38.26 90.41 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.001 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.568 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -76.9 -19.98 56.78 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.392 -0.818 . . . . 0.0 109.467 179.018 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -67.47 -48.9 65.81 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.501 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.551 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 13.7 pt-20 -72.33 -45.04 61.66 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.318 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 17' ' ' GLU . . . -40.34 -63.85 0.58 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.661 -0.649 . . . . 0.0 110.656 178.814 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 9.3 m-85 . . . . . 0 N--CA 1.501 2.098 0 O-C-N 121.619 -0.676 . . . . 0.0 111.128 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.578 ' CE2' ' CG2' ' A' ' 11' ' ' VAL . 61.1 t80 -70.85 -15.46 62.64 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.278 -1.514 . . . . 0.0 109.709 179.85 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.41 -59.53 2.93 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.545 -0.722 . . . . 0.0 109.857 179.829 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -57.69 -44.94 86.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.287 -0.883 . . . . 0.0 110.216 179.879 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -63.97 -26.79 68.74 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.202 -0.936 . . . . 0.0 109.142 179.582 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.578 ' CG2' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -70.89 -39.63 75.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.542 -0.724 . . . . 0.0 109.182 179.488 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -68.13 -24.35 65.0 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.528 -0.732 . . . . 0.0 110.215 179.951 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' OE1' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.2 -45.31 49.12 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.236 -0.915 . . . . 0.0 109.847 -179.984 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.529 ' HA ' ' CE ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.43 -37.72 80.53 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.393 -0.817 . . . . 0.0 110.444 -179.778 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.2 mm? -74.06 -25.59 59.92 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.127 -0.983 . . . . 0.0 109.17 179.129 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 2.2 ttmm -65.66 -44.19 87.08 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.272 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.1 tt0 -69.06 -53.29 21.18 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.358 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.89 -60.14 0.46 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 122.104 -0.372 . . . . 0.0 111.095 179.078 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.477 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.7 m-30 . . . . . 0 N--CA 1.498 1.97 0 O-C-N 121.252 -0.905 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.41 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 53.6 t80 -68.75 -19.98 64.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.198 -1.564 . . . . 0.0 110.258 179.752 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.505 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -69.43 -58.88 3.43 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.127 -0.983 . . . . 0.0 109.355 179.496 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 1.4 m-20 -54.14 -40.38 67.35 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.181 -0.949 . . . . 0.0 109.264 179.196 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -30.63 71.65 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.887 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.574 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -67.67 -34.64 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.408 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.574 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -72.11 -22.56 61.32 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.746 0.784 . . . . 0.0 109.22 178.954 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.77 -38.88 67.17 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.527 -0.733 . . . . 0.0 109.615 179.393 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 1.9 mmmp? -77.51 -36.48 52.52 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.04 -179.525 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.0 -25.51 55.84 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.914 -1.116 . . . . 0.0 109.493 179.491 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -49.15 57.25 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.736 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' A' ' 17' ' ' GLU . 5.7 tp10 -64.77 -47.0 79.76 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.012 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.49 -63.77 0.48 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.93 -0.481 . . . . 0.0 110.958 179.091 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.5 m-85 . . . . . 0 N--CA 1.502 2.141 0 O-C-N 121.178 -0.951 . . . . 0.0 110.895 -179.618 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 35.4 t80 -70.73 -21.61 62.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.293 -1.505 . . . . 0.0 109.984 179.689 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.486 ' O ' HG13 ' A' ' 11' ' ' VAL . 12.0 t80 -67.54 -61.46 1.89 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.295 -0.878 . . . . 0.0 109.933 179.727 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.37 -32.45 71.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.101 -1.0 . . . . 0.0 109.97 179.815 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -69.53 -28.68 66.23 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.325 -0.859 . . . . 0.0 109.582 179.545 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -77.46 -37.28 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.433 -0.792 . . . . 0.0 109.85 179.855 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.529 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -73.84 -23.01 59.57 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.372 -0.83 . . . . 0.0 109.787 179.584 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -75.81 -46.51 30.19 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.421 -0.799 . . . . 0.0 109.747 179.885 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -70.33 -34.67 72.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.371 -0.83 . . . . 0.0 109.885 179.731 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 6.9 mp -76.21 -23.79 54.63 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.307 -0.87 . . . . 0.0 109.593 179.42 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -68.25 -49.19 62.31 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.552 -0.906 . . . . 0.0 108.552 179.265 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.9 tt0 -65.53 -50.72 64.16 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.404 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.99 -73.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.723 -0.61 . . . . 0.0 110.254 178.991 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 40.1 p90 . . . . . 0 N--CA 1.486 1.335 0 O-C-N 120.948 -1.095 . . . . 0.0 110.387 -179.917 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.47 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 20.6 t80 -60.74 -18.68 56.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.25 -1.531 . . . . 0.0 109.568 179.327 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -71.04 -61.18 1.86 Allowed 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.502 -0.749 . . . . 0.0 109.677 179.252 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 6.0 m-20 -54.31 -42.53 70.22 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.288 -0.883 . . . . 0.0 109.404 179.345 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -69.04 -23.98 64.13 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.485 -0.759 . . . . 0.0 109.478 179.224 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.52 HG11 ' N ' ' A' ' 12' ' ' ALA . 1.1 t -66.91 -48.03 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.501 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.52 ' N ' HG11 ' A' ' 11' ' ' VAL . . . -68.23 -25.76 65.36 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.224 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -26.57 66.15 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.277 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -78.01 -41.9 34.29 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.637 -0.664 . . . . 0.0 109.418 179.139 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.583 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -58.92 -36.12 74.21 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.765 -1.21 . . . . 0.0 107.751 178.417 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -60.73 -45.03 95.84 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.621 0.724 . . . . 0.0 109.291 179.301 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.4 tt0 -70.98 -67.67 0.49 Allowed 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.06 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -22.15 -59.67 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 120.869 0.366 . . . . 0.0 111.665 178.906 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 8.9 p90 . . . . . 0 N--CA 1.487 1.414 0 O-C-N 120.759 -1.213 . . . . 0.0 110.539 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.559 ' CE1' HG22 ' A' ' 11' ' ' VAL . 12.1 t80 -66.57 -42.91 86.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.329 -1.482 . . . . 0.0 110.415 179.856 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -30.15 60.69 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.1 -1.0 . . . . 0.0 109.964 179.747 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -80.39 -42.9 21.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.28 -0.888 . . . . 0.0 111.682 -179.195 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -30.27 71.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.332 179.875 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.559 HG22 ' CE1' ' A' ' 7' ' ' PHE . 7.7 t -78.69 -46.85 24.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.505 -0.747 . . . . 0.0 109.797 179.79 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -62.48 -22.9 66.6 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.302 -0.874 . . . . 0.0 109.437 179.414 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.09 -46.87 55.1 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.543 -0.723 . . . . 0.0 109.085 179.301 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -45.95 91.47 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.265 179.619 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mp -63.99 -29.44 70.6 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.006 -1.059 . . . . 0.0 108.917 179.219 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 2.3 tttp -63.12 -41.49 99.34 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.952 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -67.33 -57.84 5.89 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.62 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.92 -65.72 0.21 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.955 179.535 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 2.8 p90 . . . . . 0 N--CA 1.487 1.407 0 O-C-N 120.726 -1.234 . . . . 0.0 110.58 179.886 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.536 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 28.9 t80 -67.89 -18.42 64.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.407 -1.433 . . . . 0.0 110.42 179.932 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.484 ' O ' HG21 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -78.54 -30.09 46.76 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.07 -1.019 . . . . 0.0 110.428 -179.861 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -81.41 -37.01 28.81 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.071 -1.018 . . . . 0.0 110.101 179.672 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.86 -29.04 65.05 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.291 -0.881 . . . . 0.0 109.589 179.423 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.536 ' CG1' ' O ' ' A' ' 7' ' ' PHE . 34.2 m -80.6 -47.33 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.362 -0.836 . . . . 0.0 110.004 179.667 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -66.0 -23.39 66.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.769 179.304 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.01 -45.69 40.13 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.519 -0.738 . . . . 0.0 109.521 179.652 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -68.78 -28.81 67.12 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.336 -0.853 . . . . 0.0 110.127 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -80.01 -26.82 39.67 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.353 -0.842 . . . . 0.0 109.148 179.072 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 12.3 mttt -62.16 -46.13 90.36 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.205 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' ALA . 28.5 mm-40 -71.33 -52.12 20.51 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.342 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.81 -59.06 0.35 Allowed 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.307 179.383 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 6.3 m-30 . . . . . 0 N--CA 1.501 2.106 0 O-C-N 121.303 -0.873 . . . . 0.0 110.561 -179.624 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.493 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 21.2 t80 -62.42 -24.14 67.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.055 -1.653 . . . . 0.0 109.363 179.178 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.499 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -72.51 -38.38 68.11 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.392 -0.818 . . . . 0.0 109.974 179.668 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 6.5 m-20 -72.77 -37.06 67.75 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.096 -1.002 . . . . 0.0 110.306 -179.927 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -25.09 58.03 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.139 -0.976 . . . . 0.0 109.568 179.405 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.512 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -77.76 -37.86 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.06 -1.025 . . . . 0.0 108.746 178.932 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.512 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -72.5 -25.21 61.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.286 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -33.65 66.54 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.336 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -70.04 -43.69 70.77 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.64 -0.663 . . . . 0.0 109.63 179.363 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 12.3 mt -69.26 -27.45 65.45 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.161 -0.962 . . . . 0.0 108.875 178.936 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.15 -44.84 82.98 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.403 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . 18.0 tt0 -66.41 -50.9 61.87 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.313 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.15 -70.12 0.11 Allowed 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.554 178.993 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.451 ' O ' ' O ' ' A' ' 16' ' ' LYS . 4.0 p90 . . . . . 0 N--CA 1.486 1.338 0 O-C-N 121.101 -1.0 . . . . 0.0 110.551 -179.832 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.709 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.453 ' CE1' HG21 ' A' ' 11' ' ' VAL . 32.4 t80 -59.39 -22.96 62.18 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.529 -1.357 . . . . 0.0 109.368 178.936 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -71.89 -36.64 70.11 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.54 -0.725 . . . . 0.0 109.928 179.724 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -51.16 22.58 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.358 -0.839 . . . . 0.0 110.024 179.732 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -30.74 66.15 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.965 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 7' ' ' PHE . 2.1 t -71.49 -47.85 56.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 178.569 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' VAL . . . -43.18 -37.31 2.04 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.257 -0.902 . . . . 0.0 109.795 179.353 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 74.7 mt-10 -71.55 -41.91 68.52 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.288 -0.883 . . . . 0.0 109.424 179.119 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -66.79 -61.25 2.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.454 -0.779 . . . . 0.0 110.755 179.837 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.592 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 1.3 tp -56.92 -27.14 60.56 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.929 -1.107 . . . . 0.0 109.048 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 13.6 ttpt -62.61 -46.28 89.01 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.232 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -67.31 -62.28 1.5 Allowed 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 178.542 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -31.27 -58.27 0.24 Allowed 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.682 179.066 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 15.3 m-30 . . . . . 0 N--CA 1.497 1.919 0 O-C-N 121.309 -0.87 . . . . 0.0 110.9 -179.406 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.426 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 1.8 t80 -68.89 -22.33 64.19 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.298 -1.501 . . . . 0.0 109.244 179.454 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -43.44 78.83 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.526 -0.734 . . . . 0.0 109.114 179.08 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -62.04 -52.84 62.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.541 -0.724 . . . . 0.0 110.308 179.816 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -59.4 -29.37 67.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.971 -1.081 . . . . 0.0 108.367 179.16 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.2 t -64.92 -40.02 87.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.965 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.87 -20.47 61.1 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.698 0.761 . . . . 0.0 109.484 178.941 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -67.24 -42.58 83.76 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.37 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -72.5 -36.07 68.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.503 -0.748 . . . . 0.0 109.919 179.51 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -66.96 -30.15 70.2 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.169 -0.957 . . . . 0.0 108.861 178.823 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' PHE . 6.3 mttt -66.14 -42.18 89.42 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.446 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' ALA . 24.2 tp10 -65.48 -56.17 13.91 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.748 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.09 -69.79 0.11 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.937 -0.477 . . . . 0.0 110.522 179.166 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.472 ' O ' ' O ' ' A' ' 16' ' ' LYS . 2.9 p90 . . . . . 0 N--CA 1.485 1.302 0 O-C-N 120.803 -1.185 . . . . 0.0 110.465 -179.936 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 9.7 t80 -70.78 -28.58 64.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.487 -1.383 . . . . 0.0 110.647 -179.845 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.491 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -65.48 -66.17 0.58 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.305 -0.872 . . . . 0.0 110.208 179.821 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -52.58 -39.04 61.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 110.37 -179.736 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 3.1 mttp -66.37 -29.18 69.3 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.18 -0.95 . . . . 0.0 109.414 179.826 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -73.59 -34.58 42.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.799 179.745 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.543 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -72.67 -23.9 60.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 110.178 179.617 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -77.19 -47.94 18.95 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.232 -0.917 . . . . 0.0 110.212 -179.655 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -69.16 -37.81 78.42 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.36 -0.837 . . . . 0.0 110.289 -179.718 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.586 HD22 ' CE1' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -76.14 -24.72 54.89 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.236 -0.915 . . . . 0.0 109.383 179.224 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.9 tppp? -67.38 -45.69 75.5 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.115 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -65.84 -50.76 63.43 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.988 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.43 -60.63 0.57 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.783 178.77 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.586 ' CE1' HD22 ' A' ' 15' ' ' LEU . 14.9 m-85 . . . . . 0 N--CA 1.498 1.961 0 O-C-N 121.069 -1.02 . . . . 0.0 110.585 -179.922 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -63.13 -18.59 63.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.378 -1.451 . . . . 0.0 109.391 179.087 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.516 ' O ' HG13 ' A' ' 11' ' ' VAL . 1.8 t80 -70.13 -48.28 58.18 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.137 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 18.3 t0 -70.42 -26.75 63.82 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.221 -0.924 . . . . 0.0 109.337 179.066 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -29.33 62.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.835 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -71.89 -44.29 67.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.617 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -68.26 -23.88 64.82 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.152 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -71.39 -31.06 66.86 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.948 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -49.78 47.08 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.79 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 3.6 mm? -65.84 -27.66 68.4 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.223 -0.923 . . . . 0.0 108.639 178.47 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 24.3 ttmt -65.06 -41.85 94.74 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.259 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 18' ' ' ALA . 17.0 tp10 -69.07 -60.48 2.32 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 178.655 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -33.47 -58.03 0.41 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.956 -0.465 . . . . 0.0 111.131 179.154 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 12.1 m-30 . . . . . 0 N--CA 1.498 1.929 0 O-C-N 121.015 -1.053 . . . . 0.0 110.64 -179.967 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -65.51 -20.8 66.49 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.231 -1.543 . . . . 0.0 109.532 179.348 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -37.84 70.58 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.45 -0.781 . . . . 0.0 109.873 179.433 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -69.66 -49.77 50.39 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.324 -0.86 . . . . 0.0 110.003 179.807 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -61.37 -28.14 69.02 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.28 -0.887 . . . . 0.0 108.663 179.354 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -76.07 -38.44 35.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.088 179.817 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.59 -25.51 64.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.274 -0.891 . . . . 0.0 109.904 179.29 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.52 -43.16 60.66 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.384 -0.822 . . . . 0.0 109.029 179.54 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -27.27 62.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.46 -0.775 . . . . 0.0 110.211 179.723 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.577 HD11 ' CE1' ' A' ' 19' ' ' PHE . 23.7 tp -77.67 -28.92 51.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.265 -0.897 . . . . 0.0 108.966 179.238 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 17.6 tttt -70.76 -54.06 13.13 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.995 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' ALA . 21.2 tp10 -56.68 -44.68 81.68 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.59 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -39.73 -65.66 0.37 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.58 178.667 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CE1' HD11 ' A' ' 15' ' ' LEU . 17.8 m-85 . . . . . 0 N--CA 1.501 2.078 0 O-C-N 121.499 -0.751 . . . . 0.0 111.092 -179.671 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.43 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 58.3 t80 -73.02 -19.04 61.27 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.577 -1.327 . . . . 0.0 110.057 179.859 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.505 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -75.62 -35.92 60.37 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.191 -0.943 . . . . 0.0 108.775 179.132 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 66.5 m-20 -71.46 -36.97 71.38 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.505 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -28.93 66.64 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.509 -0.744 . . . . 0.0 109.062 178.794 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.505 HG11 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -75.46 -42.69 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.367 179.625 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -68.18 -24.79 65.0 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.438 -0.789 . . . . 0.0 109.278 179.016 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 27.8 mm-40 -72.92 -39.83 65.96 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.594 -0.691 . . . . 0.0 109.415 179.401 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -68.84 -40.61 79.34 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.323 -0.861 . . . . 0.0 109.679 179.548 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.594 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 35.2 mt -71.35 -27.33 63.29 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.343 -0.848 . . . . 0.0 109.021 179.055 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -40.91 85.45 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.626 0.727 . . . . 0.0 109.068 179.622 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 18' ' ' ALA . 6.9 tt0 -71.65 -55.06 8.45 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.651 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -39.16 -70.64 0.1 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.768 -0.583 . . . . 0.0 110.811 179.273 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 17.9 p90 . . . . . 0 N--CA 1.487 1.39 0 O-C-N 120.799 -1.188 . . . . 0.0 110.491 -179.675 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 2.0 t80 -67.73 -19.06 65.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.355 -1.466 . . . . 0.0 109.702 179.369 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.492 ' O ' HG11 ' A' ' 11' ' ' VAL . 1.2 t80 -71.16 -41.41 70.42 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.187 -0.945 . . . . 0.0 108.729 179.023 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.69 -37.46 82.33 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.292 -0.88 . . . . 0.0 109.361 179.177 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -71.77 -25.24 61.95 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.387 -0.821 . . . . 0.0 109.189 179.151 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.508 HG11 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -73.18 -42.92 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.393 -0.817 . . . . 0.0 108.925 179.349 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.508 ' N ' HG11 ' A' ' 11' ' ' VAL . . . -70.6 -20.66 62.74 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 178.992 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 4.9 tp10 -71.76 -43.66 65.37 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.366 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -40.73 77.78 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.48 -0.763 . . . . 0.0 109.414 179.152 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 4.5 mp -68.46 -28.31 66.93 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.588 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 4.7 ttmt -67.59 -38.2 83.67 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.337 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -70.61 -54.37 12.28 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.408 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.9 -73.77 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.865 -0.522 . . . . 0.0 110.201 178.894 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 17.4 p90 . . . . . 0 N--CA 1.486 1.326 0 O-C-N 120.925 -1.109 . . . . 0.0 110.636 -179.611 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.444 0.164 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -71.44 -14.39 62.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.238 -1.539 . . . . 0.0 110.788 -179.53 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -75.54 -46.8 29.93 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.136 -0.978 . . . . 0.0 110.022 -179.905 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -65.47 -43.33 90.61 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.375 -0.828 . . . . 0.0 110.277 -179.894 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.424 ' HA ' ' CD ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -62.37 -31.84 72.55 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.034 -1.041 . . . . 0.0 108.634 179.161 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.27 -39.5 81.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.01 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -65.31 -28.23 69.17 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.522 -0.736 . . . . 0.0 109.355 178.797 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.424 ' CD ' ' HA ' ' A' ' 10' ' ' LYS . 9.9 mt-10 -66.41 -38.0 86.49 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.109 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -45.82 74.41 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.514 -0.741 . . . . 0.0 109.614 179.056 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.529 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -66.48 -26.2 67.07 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.218 -0.926 . . . . 0.0 109.1 179.144 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.58 -46.18 76.84 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.979 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.5 mm-40 -61.33 -60.04 4.35 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.168 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.42 -58.58 0.48 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.052 178.972 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 . . . . . 0 N--CA 1.498 1.964 0 O-C-N 121.189 -0.944 . . . . 0.0 110.673 -179.974 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.313 0.102 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.576 ' CE1' HG21 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -73.14 -18.48 61.28 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 120.309 -1.495 . . . . 0.0 109.949 -179.917 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -76.15 -57.37 3.91 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.286 -0.884 . . . . 0.0 110.36 -179.953 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.82 -42.24 83.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.138 -0.976 . . . . 0.0 110.391 -179.721 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -67.82 -27.26 66.57 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.2 -0.937 . . . . 0.0 109.34 179.754 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.576 HG21 ' CE1' ' A' ' 7' ' ' PHE . 1.3 t -76.97 -50.62 20.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.441 -0.787 . . . . 0.0 109.603 179.771 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -61.17 -24.44 66.31 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.442 -0.786 . . . . 0.0 109.653 179.556 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.66 -45.81 60.83 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.478 -0.764 . . . . 0.0 109.463 179.696 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -45.53 80.52 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.704 179.847 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 51.7 mt -62.99 -29.56 70.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.91 -1.119 . . . . 0.0 108.694 179.126 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -62.66 -39.5 94.12 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.876 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.8 mt-10 -70.47 -60.08 2.47 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.532 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.39 -64.75 0.23 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.973 -0.454 . . . . 0.0 111.073 179.406 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 3.1 p90 . . . . . 0 N--CA 1.487 1.402 0 O-C-N 120.671 -1.268 . . . . 0.0 110.498 179.78 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.437 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 6.2 t80 -69.1 -18.78 64.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.364 -1.46 . . . . 0.0 109.803 179.662 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.485 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -71.77 -64.3 0.96 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.342 -0.849 . . . . 0.0 109.383 179.6 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 6.4 t0 -59.44 -29.4 67.75 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.614 179.337 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 7.0 mmtt -71.57 -28.54 63.91 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.294 -0.879 . . . . 0.0 109.237 179.119 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -69.99 -44.88 78.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.976 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -71.45 -21.7 61.92 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.289 178.78 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -73.13 -36.63 66.74 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.655 -0.653 . . . . 0.0 109.637 179.569 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -75.69 -37.9 59.13 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.475 -0.765 . . . . 0.0 110.359 -179.853 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.573 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 5.8 mt -73.65 -26.12 60.6 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.153 -0.967 . . . . 0.0 109.383 179.278 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 15.3 tttt -70.45 -50.39 38.8 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.233 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.3 -46.25 90.51 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.168 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.91 -73.19 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.757 -0.589 . . . . 0.0 110.14 179.047 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 18.5 p90 . . . . . 0 N--CA 1.486 1.358 0 O-C-N 120.899 -1.125 . . . . 0.0 110.17 179.784 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.469 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 48.0 t80 -69.35 -20.26 63.85 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.337 -1.477 . . . . 0.0 109.785 179.552 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.485 ' O ' HG13 ' A' ' 11' ' ' VAL . 1.7 t80 -68.07 -50.75 53.15 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.356 -0.84 . . . . 0.0 110.194 179.829 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.44 -35.27 78.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.192 -0.943 . . . . 0.0 110.458 -179.744 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -30.26 69.49 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.174 -0.954 . . . . 0.0 109.344 179.431 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -75.48 -41.22 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.467 -0.771 . . . . 0.0 109.769 179.81 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.497 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -71.39 -22.25 61.9 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.35 -0.844 . . . . 0.0 109.654 179.409 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -43.76 62.33 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.574 -0.703 . . . . 0.0 109.444 179.549 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -70.01 -35.19 74.17 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.931 179.61 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 8.0 mp -74.88 -24.23 58.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.197 -0.939 . . . . 0.0 109.413 179.222 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -68.59 -50.21 53.39 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.04 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -62.66 -48.44 79.32 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.376 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.32 -76.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.884 -0.51 . . . . 0.0 110.286 178.904 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 13.9 p90 . . . . . 0 N--CA 1.487 1.386 0 O-C-N 120.975 -1.078 . . . . 0.0 110.47 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.612 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.63 -26.96 64.67 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.252 -0.905 . . . . 0.0 109.697 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.642 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.2 p-90 -59.99 -28.04 67.37 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.642 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.87 -50.38 24.21 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.5 ttmt -51.54 -27.4 10.74 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 104.717 -2.327 . . . . 0.0 104.717 175.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.619 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.78 -45.17 62.48 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.453 -1.248 . . . . 0.0 110.521 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.47 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 53.0 t80 -70.0 -23.4 63.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.274 -1.516 . . . . 0.0 110.036 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.481 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.5 t80 -67.25 -63.0 1.15 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.233 -0.917 . . . . 0.0 109.771 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -60.1 -31.5 70.09 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.194 -0.941 . . . . 0.0 109.907 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.54 -28.83 66.35 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.317 -0.865 . . . . 0.0 109.582 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -77.32 -37.31 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.353 -0.842 . . . . 0.0 109.767 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.529 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -72.64 -23.6 60.93 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.391 -0.818 . . . . 0.0 109.766 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -75.56 -46.13 33.78 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.475 -0.766 . . . . 0.0 109.805 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -67.19 -40.83 86.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.394 -0.816 . . . . 0.0 109.852 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 5.2 mp -71.93 -24.55 61.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.245 -0.909 . . . . 0.0 109.405 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 1.4 ttmt -68.1 -47.99 66.72 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.0 tt0 -65.03 -53.53 44.54 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -39.8 -72.44 0.06 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.816 -0.553 . . . . 0.0 110.369 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 43.3 p90 -111.69 40.5 2.11 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.96 -1.087 . . . . 0.0 110.315 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.516 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.645 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.96 -22.71 65.02 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.089 -1.007 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.683 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -61.91 -29.66 70.36 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 177.805 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.683 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -73.92 -48.19 32.5 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -177.835 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.2 tttt -52.31 -26.45 12.16 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 175.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.628 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.06 -50.6 32.1 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 114.603 -1.181 . . . . 0.0 110.976 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.472 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 51.9 t80 -71.86 -22.75 61.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.043 -1.661 . . . . 0.0 110.273 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.504 ' O ' HG11 ' A' ' 11' ' ' VAL . 66.9 t80 -69.22 -61.42 1.8 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.354 -0.841 . . . . 0.0 109.796 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 1.6 p30 -56.66 -37.18 70.45 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.975 -1.078 . . . . 0.0 109.758 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -62.82 -33.85 76.08 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.504 HG11 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -72.47 -37.02 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.412 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -23.04 65.74 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.538 -0.726 . . . . 0.0 109.654 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.55 -50.94 22.15 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -69.12 -18.77 64.01 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.217 178.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.532 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -85.01 -26.23 27.2 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.653 0.74 . . . . 0.0 109.013 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.578 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -64.73 -47.33 78.65 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.009 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.3 mp0 -74.7 -48.25 26.96 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.35 -61.41 0.44 Allowed 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.48 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 11.7 m-85 -29.12 94.17 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.596 -0.69 . . . . 0.0 111.318 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.471 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.307 -1.251 0 O-C-N 119.896 -1.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.739 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.4 -33.39 67.13 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.148 -0.97 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.3 p-90 -57.81 -26.24 61.71 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 177.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.33 -49.23 23.77 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' LEU . 8.7 tttt -51.72 -27.75 12.86 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.624 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -67.32 -51.43 52.61 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.986 177.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -63.56 -37.88 88.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.189 -1.569 . . . . 0.0 109.952 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.474 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -63.61 -23.05 67.22 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.263 -0.898 . . . . 0.0 109.371 179.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 86.2 m-20 -83.52 -40.88 18.6 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.288 -0.883 . . . . 0.0 110.99 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -33.26 75.57 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.938 -1.101 . . . . 0.0 108.842 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.488 HG21 ' N ' ' A' ' 12' ' ' ALA . 32.6 m -76.41 -45.46 34.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.642 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.488 ' N ' HG21 ' A' ' 11' ' ' VAL . . . -61.87 -24.13 66.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.405 -0.809 . . . . 0.0 110.025 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -48.41 39.31 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -22.35 65.55 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.789 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 2.9 mm? -84.67 -25.88 28.16 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -63.52 -45.93 88.36 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.111 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 mt-10 -71.53 -52.75 16.58 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.8 -59.42 0.48 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.998 -0.439 . . . . 0.0 111.408 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 16.0 m-85 -34.27 -61.1 0.39 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.269 -0.894 . . . . 0.0 110.923 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.429 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 28.2 t0 -74.05 -31.77 63.02 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.304 -0.873 . . . . 0.0 110.256 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.661 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.1 p-90 -59.46 -26.85 65.57 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.661 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.37 -48.93 24.96 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -177.441 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 2' ' ' ASP . 1.6 mptp? -51.48 -27.22 9.87 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 175.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.617 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -69.05 -54.29 15.9 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.1 178.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.6 -23.03 63.47 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.069 -1.644 . . . . 0.0 110.806 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.8 -34.27 71.58 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.167 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -67.37 -50.17 60.87 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.435 -0.791 . . . . 0.0 109.833 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -61.88 -29.26 70.08 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -66.36 -40.54 86.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.553 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . . . -67.14 -26.97 66.94 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.841 -0.743 . . . . 0.0 109.44 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -34.7 78.03 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.668 0.747 . . . . 0.0 109.139 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -72.09 -54.38 9.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.793 -0.567 . . . . 0.0 111.727 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.608 ' CD1' ' N ' ' A' ' 16' ' ' LYS . 4.5 pp -57.36 -32.72 67.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.708 -1.245 . . . . 0.0 108.825 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.608 ' N ' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -67.99 -40.03 83.15 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . 25.1 tp10 -61.16 -61.94 2.2 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.05 -70.94 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.327 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.602 ' CZ ' HD13 ' A' ' 15' ' ' LEU . 43.4 p90 -112.22 155.87 23.3 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.858 -1.151 . . . . 0.0 110.223 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.937 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.678 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 5.0 m-20 -71.72 -28.75 63.9 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.136 -0.977 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.655 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.4 p-90 -60.11 -27.87 67.38 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.655 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -74.89 -50.67 16.14 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -177.374 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -51.16 -28.71 11.7 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 175.034 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -72.58 -40.28 66.73 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.57 176.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' LEU . 8.2 t80 -66.88 -21.61 66.0 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.523 -1.361 . . . . 0.0 109.579 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.82 -67.36 0.51 Allowed 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.523 -0.735 . . . . 0.0 109.75 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 5' ' ' LYS . 1.3 p30 -53.02 -36.15 60.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.278 -0.889 . . . . 0.0 109.564 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 1.7 tptt -73.14 -24.25 60.56 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.309 -0.869 . . . . 0.0 109.361 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.1 t -70.46 -46.35 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.81 64.04 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.68 -37.43 82.32 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -71.08 -34.87 71.58 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.53 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 3.1 mt -70.73 -29.77 66.12 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.595 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 5.0 mttp -66.74 -45.19 79.43 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' ALA . 30.6 tt0 -62.18 -57.09 12.79 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.09 -59.53 0.61 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.941 -0.475 . . . . 0.0 111.026 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 6.0 m-30 -36.96 106.19 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.233 -0.917 . . . . 0.0 110.412 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.779 -1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.737 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -81.17 -39.17 25.91 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.302 -0.874 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.648 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.6 p-90 -57.85 -27.47 63.24 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.648 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.53 -51.8 18.35 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.515 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' LEU . 1.9 mmmm -51.29 -27.29 9.05 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 175.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -72.74 -42.15 64.37 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.527 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 16.8 t80 -74.74 -21.56 59.28 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.332 -1.48 . . . . 0.0 110.724 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.27 -64.51 1.04 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.28 -0.887 . . . . 0.0 110.498 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 7.8 p-10 -55.82 -37.02 68.12 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.915 . . . . 0.0 110.016 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 17.6 ttpt -64.14 -33.4 75.68 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.545 HG11 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -69.47 -37.97 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.014 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.545 ' N ' HG11 ' A' ' 11' ' ' VAL . . . -70.78 -22.36 62.39 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.613 -0.679 . . . . 0.0 109.704 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.85 -42.92 66.34 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.482 -0.762 . . . . 0.0 109.243 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -74.85 -36.64 62.34 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.762 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.579 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 19.3 mt -73.63 -24.73 60.06 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.119 -0.988 . . . . 0.0 109.797 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -51.68 20.32 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.259 -0.901 . . . . 0.0 109.029 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.5 tt0 -60.46 -55.8 29.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -37.78 -63.55 0.46 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.862 -0.524 . . . . 0.0 110.946 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 15' ' ' LEU . 9.6 m-30 -34.26 103.05 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.29 -0.881 . . . . 0.0 111.017 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.417 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.642 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -27.33 66.44 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.093 -1.004 . . . . 0.0 109.613 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.2 p-90 -60.41 -27.04 67.14 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.633 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.68 -51.57 18.82 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -177.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -50.47 -29.41 10.31 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 175.488 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.619 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -66.87 -47.63 71.29 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.784 177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.411 ' O ' HG22 ' A' ' 11' ' ' VAL . 66.3 t80 -62.15 -26.52 68.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.315 -1.491 . . . . 0.0 110.0 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.564 ' O ' HG21 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -69.95 -32.16 70.28 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.137 -0.977 . . . . 0.0 109.899 179.602 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -81.84 -28.26 33.15 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.99 -1.069 . . . . 0.0 109.9 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -73.07 -32.76 65.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 109.218 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.564 HG21 ' O ' ' A' ' 8' ' ' TYR . 10.9 m -79.45 -41.87 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.889 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -70.11 -22.72 62.99 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.027 -1.046 . . . . 0.0 109.996 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 18.5 tt0 -76.24 -48.77 19.08 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.358 -0.838 . . . . 0.0 110.29 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.554 ' CG ' ' N ' ' A' ' 15' ' ' LEU . 10.5 pttm -64.59 -45.39 87.18 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.796 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 19.2 mt -67.82 -26.04 65.87 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.406 -0.809 . . . . 0.0 109.183 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -65.46 -47.28 76.67 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.332 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -65.04 -48.96 72.01 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.395 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.68 -74.29 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.766 -0.584 . . . . 0.0 110.15 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 2.0 p90 -91.55 42.36 1.1 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.986 -1.071 . . . . 0.0 110.576 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.81 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -76.63 -32.2 57.87 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.1 -1.0 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.646 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.3 p-90 -59.62 -27.29 66.18 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.97 -53.04 14.27 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -178.069 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.3 tptt -51.63 -26.31 8.71 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 175.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.611 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -68.68 -49.52 58.34 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.286 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 4.8 t80 -66.54 -23.21 66.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 119.984 -1.697 . . . . 0.0 110.057 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -31.36 45.75 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.153 -0.967 . . . . 0.0 109.66 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -70.59 -52.0 24.52 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.405 -0.809 . . . . 0.0 109.331 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 6' ' ' ALA . 24.7 mtmt -63.89 -25.68 68.26 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 7' ' ' PHE . 2.0 t -70.04 -41.77 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.78 -22.24 60.87 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.492 -0.755 . . . . 0.0 109.317 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -72.39 -36.99 68.82 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.664 -0.647 . . . . 0.0 109.642 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 19.1 mtpt -78.41 -38.58 41.2 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.5 -0.75 . . . . 0.0 110.268 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.514 HD21 ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -69.42 -28.1 65.85 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.157 -0.964 . . . . 0.0 108.895 179.034 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 19' ' ' PHE . 1.8 tttt -69.5 -48.65 59.92 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -48.21 82.48 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.17 -75.48 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.779 -0.576 . . . . 0.0 110.728 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.514 ' CE2' HD21 ' A' ' 15' ' ' LEU . 24.5 p90 -105.59 176.22 5.24 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.853 -1.155 . . . . 0.0 110.666 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 O-C-N 119.993 -1.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -68.58 -29.14 67.62 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.153 -0.967 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.665 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.6 p-90 -58.13 -28.23 64.48 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.665 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.02 -51.61 15.34 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -177.579 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.04 -26.35 6.12 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 175.134 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -72.69 -46.24 54.73 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.58 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.544 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 2.7 t80 -73.36 -22.46 60.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.185 -1.572 . . . . 0.0 110.328 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.467 ' O ' HG13 ' A' ' 11' ' ' VAL . 17.6 t80 -78.7 -43.16 26.56 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.135 -0.978 . . . . 0.0 110.404 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 9.8 t70 -69.75 -38.12 76.69 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.217 -0.927 . . . . 0.0 110.326 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 6' ' ' ALA . 26.8 mmtt -70.83 -28.62 64.74 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.205 -0.934 . . . . 0.0 109.237 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.544 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -70.41 -43.55 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 119.332 -0.947 . . . . 0.0 108.683 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.486 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -72.52 -20.72 61.3 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 121.696 0.76 . . . . 0.0 109.124 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -67.67 -40.55 84.44 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.557 0.694 . . . . 0.0 109.156 179.521 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -48.54 63.18 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.136 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.549 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 6.9 mp -70.29 -21.61 62.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.03 -1.043 . . . . 0.0 109.423 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 5.5 tttt -67.76 -48.6 65.94 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -67.86 -52.93 30.98 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.533 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.54 -61.04 0.48 Allowed 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.838 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 12.6 m-30 -35.56 -42.38 0.23 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.283 -0.885 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.763 -1.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.654 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -76.87 -34.79 57.77 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.132 -0.98 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.631 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.7 p-90 -57.12 -26.35 60.36 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.631 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.2 -51.25 22.0 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -177.812 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' LEU . 13.5 ttpt -51.32 -27.94 10.86 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 175.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.61 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.29 -43.04 67.9 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.434 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.472 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 14.3 t80 -65.84 -35.54 80.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.263 -1.523 . . . . 0.0 110.269 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.491 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -66.97 -32.85 74.37 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.12 -0.987 . . . . 0.0 110.01 179.663 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.38 -45.99 57.29 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.094 -1.004 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -66.73 -28.71 68.64 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.184 -0.947 . . . . 0.0 109.125 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.491 HG11 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -79.03 -38.26 20.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.622 179.604 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.2 63.28 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.242 -0.911 . . . . 0.0 109.425 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.4 -43.93 59.48 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.424 -0.798 . . . . 0.0 109.006 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -66.24 -38.53 88.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.397 -0.814 . . . . 0.0 109.717 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.564 HD11 ' CE1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -70.97 -28.08 64.2 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.08 -1.012 . . . . 0.0 108.902 178.811 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.1 ttmm -66.77 -43.0 85.17 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.5 tm-20 -65.91 -58.0 6.57 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.21 -60.49 0.56 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 122.004 -0.435 . . . . 0.0 110.852 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 10.1 m-85 -36.49 113.25 0.22 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.218 -0.926 . . . . 0.0 110.653 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.741 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -32.17 58.91 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.316 -0.865 . . . . 0.0 110.52 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.643 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -57.67 -26.69 62.03 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 178.075 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.643 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.95 -49.21 20.84 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -177.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' LEU . 6.0 ttmt -50.08 -27.42 5.62 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 175.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.625 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -69.77 -52.05 28.67 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.284 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 4.8 t80 -66.23 -45.37 80.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.288 -1.508 . . . . 0.0 110.211 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.511 ' O ' HG13 ' A' ' 11' ' ' VAL . 7.5 t80 -51.32 -37.52 48.16 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.926 -1.109 . . . . 0.0 109.493 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -76.08 -30.36 58.3 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.145 -0.972 . . . . 0.0 110.111 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -30.15 67.81 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.331 -0.856 . . . . 0.0 109.548 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.562 ' CG1' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -80.27 -49.78 18.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.775 -179.762 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.562 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -55.73 -34.39 65.12 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.906 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.9 -29.74 62.23 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.429 -0.794 . . . . 0.0 109.234 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -68.39 -66.26 0.59 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.494 -0.754 . . . . 0.0 109.996 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 HD21 ' HA ' ' A' ' 12' ' ' ALA . 1.3 pp -50.28 -34.29 22.87 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -35.81 75.31 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 18' ' ' ALA . 8.3 tt0 -74.45 -63.76 1.17 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -31.8 -64.34 0.16 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 120.808 0.337 . . . . 0.0 110.83 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 15' ' ' LEU . 32.2 p90 -117.4 -165.5 1.09 Allowed 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.005 -1.059 . . . . 0.0 110.061 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.866 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.629 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -62.23 -27.32 68.91 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.132 -0.98 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.661 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.9 p-90 -59.06 -29.12 67.07 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 177.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.661 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.74 -50.21 26.03 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -177.148 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.51 -29.12 15.57 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 175.18 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.09 -39.58 72.06 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.145 -1.389 . . . . 0.0 109.85 177.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.506 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 17.1 t80 -66.46 -33.88 76.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.377 -1.452 . . . . 0.0 109.438 179.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.501 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -68.42 -25.94 65.28 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.248 -0.908 . . . . 0.0 108.995 178.82 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -39.74 33.11 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.427 -0.796 . . . . 0.0 110.457 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -70.12 -28.14 65.15 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.214 -0.929 . . . . 0.0 109.442 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG21 ' N ' ' A' ' 12' ' ' ALA . 27.3 m -81.16 -46.55 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.665 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.525 ' N ' HG21 ' A' ' 11' ' ' VAL . . . -67.36 -21.32 65.63 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.48 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -49.54 19.44 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 121.51 0.672 . . . . 0.0 109.434 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -31.87 72.82 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.431 -0.793 . . . . 0.0 109.666 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.589 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 50.3 mt -77.13 -25.78 52.47 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.422 -0.799 . . . . 0.0 109.198 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -68.49 -49.54 58.99 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -46.18 82.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.0 -76.11 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.729 -0.607 . . . . 0.0 110.219 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 16.7 p90 -99.7 38.41 1.45 Allowed 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.985 -1.072 . . . . 0.0 110.506 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.668 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 3.8 m-20 -75.26 -33.25 61.27 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.155 -0.966 . . . . 0.0 110.152 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.645 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 1.1 p-90 -57.39 -25.03 58.88 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 177.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.64 -48.87 29.12 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -178.458 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' LEU . 1.3 tttt -50.86 -27.56 7.7 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 104.791 -2.299 . . . . 0.0 104.791 175.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.645 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -68.82 -52.41 30.38 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.39 177.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 61.7 t80 -59.95 -18.92 49.01 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.271 -1.518 . . . . 0.0 108.764 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.467 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.8 OUTLIER -69.61 -45.9 67.49 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.847 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -56.56 -53.37 58.31 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.437 -0.79 . . . . 0.0 109.145 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -20.65 66.4 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.289 -0.882 . . . . 0.0 108.799 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -63.84 -46.39 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.454 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -63.2 -30.14 71.35 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.21 -25.58 66.18 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 11' ' ' VAL . 16.1 mttt -71.1 -58.41 3.58 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.697 -0.627 . . . . 0.0 109.793 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.574 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 2.4 mp -60.7 -28.5 68.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.024 -1.048 . . . . 0.0 108.425 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -61.62 -42.9 99.54 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.348 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' O ' ' C ' ' A' ' 18' ' ' ALA . 6.4 tt0 -72.76 -61.91 1.64 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.76 -54.18 0.11 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 122.123 -0.36 . . . . 0.0 111.719 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 12.6 m-85 -38.85 -27.59 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.989 -1.07 . . . . 0.0 110.431 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.465 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.219 -0.53 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 1.4 m-20 -70.2 -24.81 63.18 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.963 -1.086 . . . . 0.0 109.798 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.642 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -61.54 -27.7 68.8 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 177.539 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.591 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -70.31 -50.86 34.93 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 -178.838 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' LEU . 27.8 mttp -51.97 -26.61 10.91 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 175.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.642 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -69.53 -53.89 16.82 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.486 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.509 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 45.8 t80 -66.21 -27.02 67.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 119.93 -1.731 . . . . 0.0 110.393 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.469 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -65.11 -44.35 89.05 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.25 -0.906 . . . . 0.0 109.687 179.53 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -62.16 -47.26 85.29 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -67.99 -21.82 65.04 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.216 -0.927 . . . . 0.0 109.589 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -71.18 -44.59 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.3 -0.875 . . . . 0.0 109.265 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.515 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -69.79 -22.75 63.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.596 -0.69 . . . . 0.0 109.892 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -72.53 -40.7 66.57 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.325 -0.859 . . . . 0.0 109.228 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.26 -20.05 52.45 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.509 -0.744 . . . . 0.0 109.903 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 1.2 mp -79.33 -31.11 43.03 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.187 -0.946 . . . . 0.0 108.524 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 24.0 tttt -65.49 -47.38 76.21 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -42.31 92.94 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 15' ' ' LEU . . . -44.84 -74.6 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.876 -0.515 . . . . 0.0 110.734 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -103.59 11.18 36.49 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.789 -1.194 . . . . 0.0 110.796 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.516 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.648 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 1.3 m-20 -69.62 -28.21 65.73 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.1 -1.0 . . . . 0.0 109.568 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.1 p-90 -60.1 -27.43 67.0 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.14 -48.81 26.92 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -178.026 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -51.53 -27.97 12.34 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.368 -2.456 . . . . 0.0 104.368 175.155 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.75 -44.88 63.31 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.646 177.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 25.6 t80 -70.58 -22.79 62.53 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.263 -1.523 . . . . 0.0 110.44 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.487 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.03 -64.27 0.94 Allowed 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.035 -1.041 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 5' ' ' LYS . 7.8 p-10 -54.59 -28.57 47.24 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.016 -1.052 . . . . 0.0 109.309 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -29.8 61.64 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.523 HG11 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -76.69 -37.94 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 109.888 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' N ' HG11 ' A' ' 11' ' ' VAL . . . -72.18 -26.28 62.01 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.336 -0.853 . . . . 0.0 109.302 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.75 -30.94 51.78 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.475 -0.766 . . . . 0.0 109.961 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -76.65 -48.55 18.69 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.165 -0.959 . . . . 0.0 109.91 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 2.3 mm? -70.38 -24.69 62.99 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.284 -0.885 . . . . 0.0 109.336 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 16.4 ttmt -71.62 -50.82 27.15 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.487 -0.758 . . . . 0.0 109.037 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -44.28 95.62 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.13 -75.56 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.097 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 16' ' ' LYS . 19.2 p90 -106.1 -155.99 0.56 Allowed 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.848 -1.158 . . . . 0.0 110.563 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.734 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.68 -35.36 62.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.959 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.3 p-90 -57.88 -25.77 61.22 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 177.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.633 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.45 -53.24 12.73 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.511 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 0.8 OUTLIER -52.74 -26.23 13.51 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 175.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.592 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -66.25 -52.97 42.4 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.853 178.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -72.08 -40.91 67.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.056 -1.653 . . . . 0.0 109.69 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.493 ' HA ' HG23 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -59.27 -19.09 43.07 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.243 -0.911 . . . . 0.0 109.262 178.834 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -83.79 -45.33 13.44 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.459 -0.776 . . . . 0.0 111.229 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -32.47 74.03 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.96 -1.088 . . . . 0.0 108.817 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 8' ' ' TYR . 34.0 m -75.88 -44.77 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.488 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.04 -23.83 66.7 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.311 -0.868 . . . . 0.0 109.514 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.99 -47.12 63.46 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -66.25 -24.95 66.67 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.155 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.489 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -77.02 -30.24 55.71 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -63.83 -41.97 97.74 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.9 tt0 -70.37 -59.15 3.03 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.31 -57.51 0.49 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.934 -0.479 . . . . 0.0 111.382 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.5 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 8.1 m-30 -36.54 99.72 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.144 -0.972 . . . . 0.0 110.733 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 119.936 -1.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.593 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -68.4 -24.48 64.77 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.081 -1.012 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.639 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -60.82 -28.03 68.49 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 177.765 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.86 -47.51 37.79 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 -178.523 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 4' ' ' LEU . 9.7 mmmt -51.29 -27.87 10.55 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 175.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.639 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -70.23 -50.28 41.45 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 114.44 -1.255 . . . . 0.0 110.308 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 11' ' ' VAL . 55.0 t80 -68.06 -20.94 65.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.336 -1.478 . . . . 0.0 109.966 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.494 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 2.5 t80 -73.06 -35.05 66.62 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.234 -0.916 . . . . 0.0 109.455 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.497 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 28.4 t70 -77.7 -34.63 52.74 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.342 -0.849 . . . . 0.0 109.627 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -68.08 -29.82 68.86 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.269 -0.895 . . . . 0.0 109.304 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 7' ' ' PHE . 27.2 m -81.08 -43.38 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 119.566 -0.854 . . . . 0.0 110.724 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.498 ' N ' HG21 ' A' ' 11' ' ' VAL . . . -68.5 -25.4 64.94 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.12 -0.987 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -82.38 -37.29 25.82 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.236 -0.915 . . . . 0.0 110.612 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -33.42 66.68 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.986 -1.071 . . . . 0.0 110.098 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.587 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.4 mm? -82.65 -25.17 33.34 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.222 -0.924 . . . . 0.0 108.787 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -66.52 -49.93 64.87 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.134 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.5 mm-40 -67.27 -44.92 78.13 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.19 -75.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.804 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 7.6 p90 -91.9 142.53 27.46 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.018 -1.051 . . . . 0.0 110.18 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.44 0 O-C-N 119.94 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.4 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.218 -0.603 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -68.5 -26.16 65.32 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.096 -1.002 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.627 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.2 p-90 -60.32 -27.89 67.7 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 177.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.627 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.41 -51.23 21.3 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -177.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 4' ' ' LEU . 14.8 ttpt -51.53 -27.33 10.47 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 175.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -70.53 -46.74 63.04 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.309 177.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.459 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 67.9 t80 -69.02 -21.76 64.11 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.281 -1.512 . . . . 0.0 109.882 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' HG12 ' A' ' 11' ' ' VAL . 26.9 t80 -67.3 -68.32 0.39 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.379 -0.825 . . . . 0.0 109.781 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.01 -30.88 62.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.158 -0.964 . . . . 0.0 109.736 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -29.41 67.24 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.342 -0.848 . . . . 0.0 109.47 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.523 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -76.87 -37.39 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.336 -0.853 . . . . 0.0 109.812 179.83 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.52 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -73.68 -23.29 59.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.426 -0.796 . . . . 0.0 109.587 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -44.9 48.37 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.513 -0.742 . . . . 0.0 109.535 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -72.2 -30.41 64.92 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.369 -0.832 . . . . 0.0 109.881 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 6.5 mp -76.23 -26.2 55.83 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.309 -0.869 . . . . 0.0 109.271 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 1.3 mmtt -67.86 -48.14 66.97 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.26 -48.01 77.37 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.62 -77.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.729 -0.607 . . . . 0.0 110.166 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 12.9 p90 -99.02 169.93 9.08 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.003 -1.06 . . . . 0.0 110.436 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.737 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.43 -31.65 68.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.218 -0.926 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.663 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.4 p-90 -58.02 -27.23 63.35 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.663 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.47 -48.79 30.74 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -177.734 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' LEU . 6.6 mttp -52.28 -27.22 14.25 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 175.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -69.68 -50.32 45.07 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.759 177.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 11.2 t80 -66.12 -19.5 65.86 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.363 -1.461 . . . . 0.0 109.049 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.479 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.63 -50.87 32.36 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.627 -0.67 . . . . 0.0 109.429 179.219 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -61.05 -40.29 93.07 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.276 -0.89 . . . . 0.0 109.363 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -67.85 -27.1 66.4 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.417 -0.802 . . . . 0.0 109.377 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -71.69 -42.25 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.879 . . . . 0.0 109.176 179.459 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.484 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -73.55 -20.74 60.56 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.566 -0.709 . . . . 0.0 110.014 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.81 -43.68 58.07 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.519 -0.738 . . . . 0.0 109.85 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -71.45 -40.81 70.11 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.526 -0.734 . . . . 0.0 109.684 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.0 mm? -70.66 -25.31 62.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.297 -0.877 . . . . 0.0 109.016 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -68.58 -47.67 66.19 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.748 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -58.35 -51.17 70.94 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -41.19 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.027 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 20.1 p90 -102.76 -152.8 0.45 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.818 -1.176 . . . . 0.0 110.609 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.65 -1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.573 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -69.79 -23.94 63.42 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.076 -1.015 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.648 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.1 p-90 -61.11 -29.54 69.83 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.648 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -70.86 -51.65 25.08 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 -178.198 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -52.01 -26.03 9.81 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 105.056 -2.202 . . . . 0.0 105.056 175.316 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.627 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -72.09 -44.96 62.44 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.438 178.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.558 ' CE1' HG23 ' A' ' 11' ' ' VAL . 27.4 t80 -66.44 -19.36 65.77 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.18 -1.575 . . . . 0.0 109.669 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -67.31 0.61 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.495 -0.753 . . . . 0.0 110.129 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.28 -41.79 65.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.292 -0.88 . . . . 0.0 110.165 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 1.2 mtmt -62.58 -30.96 71.71 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.206 -0.934 . . . . 0.0 108.739 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -70.79 -36.56 65.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.294 179.523 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -69.98 -27.29 64.59 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.424 -0.797 . . . . 0.0 109.547 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.44 -35.72 68.37 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.379 -0.826 . . . . 0.0 109.903 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -76.85 -37.75 55.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.498 -0.751 . . . . 0.0 110.947 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 4.9 mp -75.77 -24.37 56.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.976 -1.078 . . . . 0.0 110.34 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -73.06 -54.92 7.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.454 -0.898 . . . . 0.0 108.648 179.46 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.75 -39.31 84.33 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.04 -79.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.869 -0.519 . . . . 0.0 110.056 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 8.0 p90 -98.46 30.13 3.35 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.001 -1.062 . . . . 0.0 110.642 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.737 -1.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.706 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -25.16 64.38 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.055 -1.028 . . . . 0.0 109.69 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.67 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.1 p-90 -59.54 -28.69 67.33 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 177.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.67 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.74 -47.18 32.61 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -177.864 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -51.73 -26.91 10.37 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 175.05 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.624 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -72.46 -47.31 49.91 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.642 178.193 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.512 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.6 OUTLIER -70.73 -30.36 66.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.525 -1.359 . . . . 0.0 110.287 -179.792 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.492 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -68.15 -52.18 37.5 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.088 -1.007 . . . . 0.0 110.168 179.826 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -34.79 79.27 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.252 -0.905 . . . . 0.0 110.728 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 2.3 tppm? -73.98 -26.09 60.27 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.177 -0.952 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -75.3 -43.38 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 109.443 179.798 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -67.11 -24.55 65.94 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.157 179.147 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -37.6 68.35 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.586 -0.696 . . . . 0.0 109.718 179.478 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 5.7 tttm -76.53 -33.69 58.57 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.36 -0.837 . . . . 0.0 110.692 -179.798 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.524 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.9 mp -74.85 -28.09 60.53 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.129 -0.982 . . . . 0.0 109.339 179.385 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 15.4 ttpt -71.45 -46.51 59.79 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.23 -48.28 76.43 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . -46.04 -71.18 0.08 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.76 -0.587 . . . . 0.0 110.879 179.245 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 20.2 p90 -108.02 29.88 6.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.741 -1.224 . . . . 0.0 110.665 -179.396 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.512 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.624 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.93 -25.2 61.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.169 -0.957 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.656 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -60.57 -27.98 68.12 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 177.83 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.84 -48.59 24.33 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.087 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -51.19 -27.07 7.91 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 174.934 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.611 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.06 -50.15 36.96 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 114.46 -1.245 . . . . 0.0 110.334 177.609 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.525 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 79.9 t80 -66.19 -14.88 62.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.204 -1.56 . . . . 0.0 109.491 179.504 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.45 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 1.7 t80 -77.67 -65.3 0.98 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.53 -0.732 . . . . 0.0 109.826 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -52.48 -38.9 60.47 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.657 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -66.38 -31.04 71.56 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.674 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 7' ' ' PHE . 2.6 t -72.96 -36.53 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.156 179.286 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.35 62.54 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.471 -0.768 . . . . 0.0 109.128 178.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -76.1 -30.5 58.3 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -80.17 -28.87 38.7 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.525 -0.734 . . . . 0.0 109.189 179.073 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.583 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 5.9 mp -78.87 -28.51 44.19 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.394 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.568 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 9.7 tptp -71.74 -47.19 55.48 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -59.97 -57.17 14.03 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.115 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.52 -64.43 0.43 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.83 -0.544 . . . . 0.0 110.71 178.702 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 8.2 m-30 -34.23 129.15 0.38 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.336 -0.852 . . . . 0.0 110.826 -179.691 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.658 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 3' ' ' TRP . 9.5 p30 -73.55 -35.44 65.52 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.288 -0.883 . . . . 0.0 110.191 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.654 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.4 p-90 -54.02 -26.9 28.7 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 177.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.654 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -74.6 -44.96 48.21 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -178.211 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -50.82 -28.64 9.83 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 174.775 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.644 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -72.6 -48.68 37.77 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.793 177.887 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.546 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 6.2 t80 -70.84 -23.53 62.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.285 -1.509 . . . . 0.0 111.275 -179.505 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -49.52 18.17 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.94 -1.1 . . . . 0.0 109.788 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -37.0 86.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.404 -0.81 . . . . 0.0 109.942 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -66.05 -33.38 75.65 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.003 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -77.27 -30.36 17.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.338 179.3 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -74.04 -25.15 59.7 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.394 -0.816 . . . . 0.0 109.586 179.144 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.77 -44.28 56.52 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.577 -0.702 . . . . 0.0 109.175 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 31.9 mttt -69.82 -34.08 73.19 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.364 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 3.2 mm? -74.5 -28.38 60.98 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.547 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.59 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -70.28 -51.04 33.45 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.016 179.871 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ALA . 25.9 mm-40 -60.16 -53.05 62.31 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.091 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.06 -64.45 0.41 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.921 -0.487 . . . . 0.0 110.817 178.826 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 -31.59 -72.39 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.392 -0.818 . . . . 0.0 111.08 -179.597 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.915 -1.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.538 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -67.34 -25.36 65.96 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.07 -1.019 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.639 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -60.44 -27.58 67.62 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.026 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.639 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.67 -50.84 16.16 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -178.023 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.77 -26.79 10.35 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 175.341 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.603 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -69.48 -52.98 21.52 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.439 177.822 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.487 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 13.8 t80 -60.64 -29.41 69.24 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.053 -1.654 . . . . 0.0 109.066 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.463 ' O ' HG13 ' A' ' 11' ' ' VAL . 2.3 t80 -68.67 -34.68 76.11 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -62.57 -59.99 4.15 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.481 -0.762 . . . . 0.0 109.883 179.594 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -30.33 62.05 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -61.76 -35.68 69.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.49 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.501 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -68.11 -27.45 66.48 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.797 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -37.01 86.23 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.322 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -47.81 62.04 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.394 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 25.0 mt -68.15 -25.09 65.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.044 -1.035 . . . . 0.0 109.365 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 19' ' ' PHE . 6.3 tptp -69.11 -46.42 67.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.695 0.759 . . . . 0.0 109.051 179.347 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -50.51 71.07 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.446 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.3 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.207 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 3.9 p90 -103.53 -158.42 0.67 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.914 -1.116 . . . . 0.0 110.691 -179.732 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.743 -1.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.735 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -76.55 -36.07 57.85 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.089 -1.007 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.667 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.3 p-90 -57.76 -27.97 63.53 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.09 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.667 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -75.28 -48.3 23.93 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -177.308 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -50.96 -28.54 10.05 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 104.065 -2.569 . . . . 0.0 104.065 175.042 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -72.03 -44.14 63.86 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.218 -1.355 . . . . 0.0 109.823 177.104 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.603 ' CE1' ' CG2' ' A' ' 11' ' ' VAL . 1.2 t80 -66.53 -28.71 68.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.557 -1.339 . . . . 0.0 109.87 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -68.6 -38.26 80.49 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.453 -0.779 . . . . 0.0 109.597 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.19 -56.27 15.9 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.472 -0.768 . . . . 0.0 110.485 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -66.12 -22.4 66.39 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.14 -0.975 . . . . 0.0 109.264 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.603 ' CG2' ' CE1' ' A' ' 7' ' ' PHE . 2.7 t -76.12 -38.53 34.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.381 179.504 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.53 -23.42 61.0 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.488 -0.758 . . . . 0.0 109.258 178.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.4 -43.83 59.69 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.522 -0.736 . . . . 0.0 109.563 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -68.86 -39.06 80.09 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.385 -0.822 . . . . 0.0 109.531 179.274 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.588 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 3.0 mp -66.19 -29.68 70.0 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 30.0 tttm -62.22 -43.65 98.35 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.814 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' ALA . 30.6 mt-10 -65.96 -56.84 9.62 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.557 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -37.35 -71.94 0.07 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.131 0.491 . . . . 0.0 110.333 179.099 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 2.3 p90 -94.24 178.94 5.47 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.007 -1.058 . . . . 0.0 110.073 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.667 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 5.3 t0 -68.11 -26.81 65.99 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.086 -1.009 . . . . 0.0 109.694 . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.659 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.3 p-90 -59.89 -28.93 67.98 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.659 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.85 -50.07 26.25 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.513 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.04 -26.45 10.88 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 175.4 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.617 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.65 -50.62 28.91 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.165 178.377 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.54 -10.93 59.89 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.288 -1.508 . . . . 0.0 110.076 -179.481 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -74.6 -58.04 3.54 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.295 -0.878 . . . . 0.0 109.035 179.295 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.65 -35.49 76.34 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.366 -0.834 . . . . 0.0 109.18 178.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.47 -33.18 74.34 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.659 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.39 -37.17 74.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.38 -24.33 64.77 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.464 -0.772 . . . . 0.0 110.058 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' OE2' ' HE3' ' A' ' 16' ' ' LYS . 22.2 mm-40 -72.82 -43.08 63.14 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.333 -0.854 . . . . 0.0 109.55 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -38.9 81.58 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.258 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.53 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 9.2 mp -76.36 -21.8 55.65 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.226 -0.921 . . . . 0.0 109.295 179.334 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HE3' ' OE2' ' A' ' 13' ' ' GLU . 9.8 ttpp -65.45 -46.52 79.55 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.048 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 mt-10 -71.79 -53.68 12.58 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.309 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -33.7 -58.39 0.42 Allowed 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.179 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 9.4 m-30 -35.85 -68.1 0.14 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.365 -0.834 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.283 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.419 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.698 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -70.5 -31.96 69.26 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.197 -0.939 . . . . 0.0 109.799 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.628 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.7 p-90 -57.94 -26.69 62.58 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.628 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.49 -51.1 21.51 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -177.843 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.33 -27.89 10.83 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 104.594 -2.373 . . . . 0.0 104.594 175.284 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.61 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -72.16 -42.25 66.13 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.439 177.623 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 8.9 t80 -70.48 -26.38 63.59 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.321 -1.487 . . . . 0.0 110.102 179.737 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.474 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -67.17 -67.46 0.45 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.309 -0.869 . . . . 0.0 109.91 179.672 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -57.22 -30.84 64.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.18 -0.95 . . . . 0.0 109.883 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -69.33 -29.41 67.23 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.365 -0.834 . . . . 0.0 109.362 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.52 HG11 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -76.64 -38.34 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.398 -0.814 . . . . 0.0 109.653 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.52 ' N ' HG11 ' A' ' 11' ' ' VAL . . . -72.02 -23.92 61.47 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.347 -0.845 . . . . 0.0 109.598 179.266 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -74.49 -43.55 55.5 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.428 -0.795 . . . . 0.0 109.481 179.695 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -44.34 81.48 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.396 -0.815 . . . . 0.0 109.846 179.681 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.568 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 5.1 mt -70.01 -24.26 63.26 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.196 -0.94 . . . . 0.0 109.36 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -66.51 -47.39 73.1 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.284 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.2 mm-40 -66.31 -56.94 8.73 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.427 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.64 -60.84 0.42 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 122.057 -0.402 . . . . 0.0 111.188 179.094 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 11.2 m-30 -35.84 -61.7 0.46 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.249 -0.907 . . . . 0.0 110.871 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.36 -30.05 68.91 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.292 -0.88 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.665 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.5 p-90 -58.4 -27.83 64.64 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.207 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.665 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -76.52 -48.74 18.43 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.883 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.38 -28.49 12.74 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 104.261 -2.496 . . . . 0.0 104.261 175.131 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.589 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -70.49 -46.5 63.6 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.982 -1.463 . . . . 0.0 110.008 177.092 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.418 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 7.4 t80 -73.41 -13.99 61.18 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 120.338 -1.476 . . . . 0.0 109.619 179.655 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.487 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.75 -61.23 1.86 Allowed 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.523 -0.735 . . . . 0.0 109.383 179.515 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.11 -30.55 70.43 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.129 -0.982 . . . . 0.0 109.907 179.609 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -31.37 69.63 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.252 -0.905 . . . . 0.0 109.268 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -72.74 -37.46 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.344 -0.847 . . . . 0.0 109.036 179.29 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.531 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -71.11 -21.22 62.24 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 121.685 0.755 . . . . 0.0 109.396 179.28 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.93 -49.28 30.4 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.442 -0.786 . . . . 0.0 109.499 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -65.67 -41.48 92.44 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.805 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.581 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -66.13 -28.15 68.58 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.195 -0.941 . . . . 0.0 109.0 178.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.585 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -66.45 -45.01 81.21 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.288 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' ALA . 71.2 mm-40 -63.31 -57.83 9.11 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.616 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.11 -60.04 0.58 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.08 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 5.3 m-30 -37.25 -70.07 0.1 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.13 -0.981 . . . . 0.0 110.69 -179.52 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.268 0 O-C-N 119.753 -1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.42 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.625 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -70.22 -29.5 66.34 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.127 -0.983 . . . . 0.0 109.808 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.4 p-90 -58.99 -27.0 64.99 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 177.872 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.625 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.32 -51.29 21.37 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -177.917 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -51.06 -27.98 9.31 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 175.475 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.21 -44.36 65.53 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.337 177.668 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 71.1 t80 -70.56 -23.35 62.59 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.366 -1.459 . . . . 0.0 110.144 179.805 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.4 t80 -73.64 -36.02 65.36 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.286 -0.883 . . . . 0.0 110.192 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 28.0 t0 -77.79 -33.99 52.37 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.082 -1.011 . . . . 0.0 109.757 179.423 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -29.82 66.67 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.267 -0.896 . . . . 0.0 109.651 179.277 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.518 HG21 ' N ' ' A' ' 12' ' ' ALA . 34.6 m -79.71 -43.04 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.337 -0.852 . . . . 0.0 110.064 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.518 ' N ' HG21 ' A' ' 11' ' ' VAL . . . -68.92 -23.35 64.16 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.172 -0.955 . . . . 0.0 109.921 179.585 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 6.5 mm-40 -76.35 -46.69 26.35 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.362 -0.836 . . . . 0.0 110.022 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -66.54 -38.77 87.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.832 . . . . 0.0 110.135 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.581 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 3.8 mm? -75.87 -23.4 55.64 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.213 -0.929 . . . . 0.0 109.331 179.25 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -67.65 -46.95 70.95 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.072 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -67.36 -49.51 63.66 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.421 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.67 -73.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.816 -0.553 . . . . 0.0 110.194 178.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 4.6 p90 -101.65 169.88 8.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.053 -1.03 . . . . 0.0 110.245 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.732 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 4.6 m-20 -71.48 -28.3 63.84 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.165 -0.96 . . . . 0.0 109.854 . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.663 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -60.69 -26.55 67.21 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.89 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.663 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -76.45 -50.86 12.99 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.86 -0.525 . . . . 0.0 109.649 -176.806 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -50.36 -27.95 7.16 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 175.528 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.57 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -70.53 -45.62 65.16 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.101 176.662 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' LEU . 82.5 t80 -70.56 -20.78 62.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.413 -1.43 . . . . 0.0 110.492 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.491 ' O ' HG11 ' A' ' 11' ' ' VAL . 2.8 t80 -67.9 -56.91 7.29 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.114 -0.991 . . . . 0.0 108.972 179.341 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 10.5 m-20 -66.14 -24.43 66.67 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.249 -0.907 . . . . 0.0 109.269 179.006 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -64.92 -38.08 89.79 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.653 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.539 HG11 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -71.38 -36.94 63.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.867 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.539 ' N ' HG11 ' A' ' 11' ' ' VAL . . . -67.57 -21.51 65.43 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.544 0.688 . . . . 0.0 109.537 179.312 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -50.3 25.14 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.449 -0.782 . . . . 0.0 109.215 179.468 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -70.58 -23.08 62.53 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.727 -0.789 . . . . 0.0 109.737 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.565 ' HG ' ' CE1' ' A' ' 19' ' ' PHE . 10.5 tp -79.72 -26.97 40.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.346 -0.846 . . . . 0.0 108.76 178.722 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.2 ttpt -68.5 -50.98 48.16 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.662 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . 8.5 tp10 -52.25 -58.01 7.94 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.828 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.74 -62.73 0.46 Allowed 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.77 178.597 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CE1' ' HG ' ' A' ' 15' ' ' LEU . 11.1 m-30 -34.19 -90.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.311 -0.868 . . . . 0.0 110.992 -179.757 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.277 0 O-C-N 119.558 -1.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.674 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.09 -34.82 49.96 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.183 -0.948 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.647 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.4 p-90 -56.33 -26.69 53.26 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.237 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.647 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -75.82 -47.89 23.79 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -177.729 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -50.11 -28.71 7.68 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 174.755 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.613 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.17 -48.5 51.37 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.133 -1.394 . . . . 0.0 110.185 177.417 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -67.31 -19.02 65.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.331 -1.481 . . . . 0.0 110.276 179.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.512 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -72.34 -61.13 1.9 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.103 -0.998 . . . . 0.0 110.155 179.78 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 2.7 p30 -62.53 -30.69 71.48 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.0 -1.063 . . . . 0.0 110.637 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 26.8 tttt -66.51 -33.37 75.53 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.115 -0.991 . . . . 0.0 109.027 179.414 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.512 HG11 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -74.04 -44.27 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.668 179.65 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 16' ' ' LYS . . . -67.05 -23.09 65.85 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.6 -0.687 . . . . 0.0 109.901 179.666 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 13.4 tt0 -72.66 -44.84 61.32 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.386 -0.821 . . . . 0.0 110.077 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -72.23 -38.37 68.95 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.21 -0.931 . . . . 0.0 111.34 -179.181 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -27.91 62.72 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.874 -1.141 . . . . 0.0 109.963 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.581 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -72.5 -32.01 65.82 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.438 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.581 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -74.89 -47.72 28.58 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.57 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -42.08 -71.65 0.08 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.781 -0.574 . . . . 0.0 110.003 178.267 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -109.8 158.59 17.98 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.814 -1.179 . . . . 0.0 110.547 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.936 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.624 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' HB1' ' A' ' 6' ' ' ALA . 12.8 t70 -68.66 -24.72 64.56 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.026 -1.046 . . . . 0.0 109.617 . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.652 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.2 p-90 -60.96 -29.46 69.66 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.018 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.652 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.59 -50.97 21.8 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -177.76 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' LEU . 16.5 tttt -51.77 -27.04 10.87 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 104.661 -2.348 . . . . 0.0 104.661 175.236 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.608 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -73.39 -42.12 62.52 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.45 177.883 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.522 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 26.1 t80 -71.06 -26.21 62.97 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.332 -1.48 . . . . 0.0 110.102 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.483 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -67.57 -52.41 38.94 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.278 -0.889 . . . . 0.0 109.989 179.853 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -66.03 -35.34 80.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.074 -1.016 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -28.88 67.51 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.289 -0.882 . . . . 0.0 109.551 179.618 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.541 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -76.99 -37.29 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.704 179.776 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.541 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -73.07 -23.0 60.5 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.483 -0.761 . . . . 0.0 109.681 179.211 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -73.57 -46.76 45.42 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.39 -0.819 . . . . 0.0 109.133 179.424 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -30.65 68.5 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.647 179.34 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.4 mt -75.54 -26.0 57.66 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.354 -0.841 . . . . 0.0 109.247 179.127 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.555 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.02 -46.14 78.94 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.102 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' ALA . 68.7 mt-10 -66.52 -56.32 11.38 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.322 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -35.11 -60.04 0.48 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.993 -0.442 . . . . 0.0 111.075 179.099 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 10.3 m-30 -34.81 93.97 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.304 -0.872 . . . . 0.0 110.924 -179.701 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.932 -1.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.601 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.44 -21.77 60.37 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.193 -0.942 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.692 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -61.77 -29.98 70.49 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 178.027 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.692 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -76.12 -46.68 27.65 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -178.001 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -52.2 -24.57 7.37 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 175.045 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.628 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.61 -52.66 16.9 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.566 177.912 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.584 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 1.8 t80 -70.28 -36.29 74.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.091 -1.631 . . . . 0.0 110.725 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.451 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -62.26 -57.07 12.75 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 109.746 179.833 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 5.7 t0 -54.88 -40.39 69.7 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.471 -0.768 . . . . 0.0 110.789 -179.369 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -69.84 -27.98 65.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.01 -1.056 . . . . 0.0 109.458 179.657 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.545 HG23 ' CE1' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -73.99 -44.23 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.366 -0.834 . . . . 0.0 109.267 179.74 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -71.72 -18.1 62.17 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.744 0.783 . . . . 0.0 109.615 179.347 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 19.2 tt0 -73.52 -46.5 47.39 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.665 -0.647 . . . . 0.0 109.674 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -36.77 68.24 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.24 -0.912 . . . . 0.0 110.333 179.838 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 24.7 mt -74.63 -22.92 58.67 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.027 -1.046 . . . . 0.0 109.54 179.533 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 1.6 tppp? -68.84 -45.22 71.68 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.047 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.48 -46.66 63.32 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.217 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.8 -73.85 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.633 -0.667 . . . . 0.0 110.426 178.846 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 2.3 p90 -102.83 -13.7 16.88 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.047 -1.033 . . . . 0.0 110.381 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.537 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.302 -1.493 0 O-C-N 120.015 -1.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.759 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 3.0 t70 -70.28 -28.53 65.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.22 -0.925 . . . . 0.0 109.5 . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.662 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.2 p-90 -60.24 -28.22 67.85 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.035 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.662 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.69 -50.77 19.25 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -177.376 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -51.93 -27.06 11.8 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 175.043 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.595 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -74.05 -39.96 63.16 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.062 177.064 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 37.2 t80 -71.4 -26.64 62.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.38 -1.45 . . . . 0.0 110.416 179.755 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.468 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.58 -49.18 56.57 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.201 -0.937 . . . . 0.0 108.945 179.41 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -53.57 -49.79 66.96 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.321 178.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -68.04 -22.62 64.95 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.368 -0.832 . . . . 0.0 109.382 179.161 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.507 HG11 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -66.23 -44.26 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.236 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.507 ' N ' HG11 ' A' ' 11' ' ' VAL . . . -69.23 -23.62 63.9 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.452 0.644 . . . . 0.0 109.353 179.051 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.58 -39.22 81.07 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.013 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -33.44 64.52 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.592 -0.692 . . . . 0.0 109.22 179.023 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.533 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -71.85 -27.12 62.68 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.822 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 17.8 tptm -69.23 -52.54 26.75 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.885 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -56.48 -40.25 74.6 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.836 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.4 -78.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.81 178.573 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' A' ' 20' ' ' NH2 . 33.0 p90 -99.93 -36.41 9.4 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.071 -1.018 . . . . 0.0 110.408 179.867 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.604 ' N ' ' CD1' ' A' ' 19' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.829 -1.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.642 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -24.05 66.45 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.98 -1.075 . . . . 0.0 109.219 . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.646 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.3 p-90 -60.4 -29.31 68.88 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 177.753 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.53 -49.79 30.28 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -178.164 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' LEU . 3.7 mmtp -51.68 -27.15 10.73 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 175.193 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.622 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -73.74 -41.29 62.73 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.362 177.64 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.489 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 9.9 t80 -69.34 -26.94 64.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.417 -1.427 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.491 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -70.01 -49.59 49.97 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.106 -0.997 . . . . 0.0 109.855 179.525 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -64.58 -37.23 86.84 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.178 -0.952 . . . . 0.0 110.123 179.814 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -26.43 63.88 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.347 -0.846 . . . . 0.0 109.484 179.843 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -75.84 -40.32 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.272 -0.892 . . . . 0.0 109.79 179.677 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -76.13 -21.25 56.82 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.266 -0.896 . . . . 0.0 109.638 179.344 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.82 -38.02 62.17 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.548 -0.72 . . . . 0.0 109.861 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -74.06 -41.52 61.62 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.323 -0.861 . . . . 0.0 109.979 179.708 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 10.1 mp -72.37 -24.79 61.32 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.119 -0.988 . . . . 0.0 109.129 179.021 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.588 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 2.6 ttpt -69.98 -48.86 56.54 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.221 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -60.09 -53.78 53.69 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.363 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.42 -64.37 0.43 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.76 -0.587 . . . . 0.0 110.518 178.714 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.9 m-30 -34.73 107.9 0.06 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.358 -0.839 . . . . 0.0 110.664 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.727 -1.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.64 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.34 -28.21 64.96 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.18 -0.95 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.3 p-90 -59.78 -27.63 66.72 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 177.887 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.634 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.09 -51.44 21.53 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -178.025 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' LEU . 21.9 tttt -51.11 -27.65 8.86 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 175.376 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -70.7 -46.1 63.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.419 177.846 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.518 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 61.7 t80 -68.62 -27.82 66.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.25 -1.531 . . . . 0.0 109.874 179.738 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.496 ' C ' HG22 ' A' ' 11' ' ' VAL . 1.5 t80 -71.13 -30.74 66.87 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 179.803 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -80.13 -38.15 32.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.127 -0.983 . . . . 0.0 110.335 179.614 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -70.53 -28.14 64.7 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.183 -0.948 . . . . 0.0 109.468 179.618 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 7' ' ' PHE . 32.7 m -80.45 -46.12 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.347 -0.845 . . . . 0.0 109.835 179.759 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' N ' HG21 ' A' ' 11' ' ' VAL . . . -66.94 -23.64 65.99 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.205 -0.935 . . . . 0.0 109.717 179.391 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -74.64 -46.11 40.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.41 -0.806 . . . . 0.0 109.598 179.736 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -45.85 88.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.363 -0.836 . . . . 0.0 109.998 179.83 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.577 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mm? -69.88 -24.31 63.39 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.088 -1.008 . . . . 0.0 109.294 179.339 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.56 -45.31 87.62 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.213 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -70.7 -57.26 4.87 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.469 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -33.05 -58.26 0.37 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.417 179.283 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 9.9 m-30 -34.33 115.69 0.27 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.337 -0.852 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 O-C-N 119.837 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.659 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.7 -34.66 60.41 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.15 -0.969 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.63 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.4 p-90 -57.38 -26.08 60.49 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.928 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.63 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.22 -50.41 27.65 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -178.002 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 4' ' ' LEU . 21.5 tttt -51.77 -27.17 11.34 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 175.586 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -69.58 -48.84 58.84 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.636 177.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.466 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 74.8 t80 -69.58 -29.07 66.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.222 -1.549 . . . . 0.0 110.69 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -39.76 76.62 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.329 -0.857 . . . . 0.0 110.138 179.944 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 13' ' ' GLU . 5.4 m-20 -69.67 -42.42 74.19 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.429 -0.795 . . . . 0.0 110.404 -179.866 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -68.03 -27.88 66.91 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.197 179.402 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -76.6 -46.9 30.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.31 -0.868 . . . . 0.0 109.725 179.888 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -66.57 -24.06 66.3 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 109.91 179.487 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.568 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.48 -33.94 60.84 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.268 -0.895 . . . . 0.0 109.64 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.568 ' N ' ' HG3' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -71.84 -45.53 61.11 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.054 -1.029 . . . . 0.0 110.223 179.393 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.486 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 6.8 mt -71.96 -23.42 61.44 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.142 -0.974 . . . . 0.0 109.5 179.391 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 10.0 tttp -64.14 -45.46 88.38 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.272 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.4 mm-40 -73.08 -53.99 9.67 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.582 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.99 -57.83 0.37 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 122.134 -0.354 . . . . 0.0 111.368 179.245 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' A' ' 15' ' ' LEU . 8.8 m-30 -36.61 -73.08 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.182 -0.949 . . . . 0.0 110.665 -179.767 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.883 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.735 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -35.87 53.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.074 -1.016 . . . . 0.0 110.185 . . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -58.16 -25.23 61.24 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 178.142 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -76.51 -47.98 20.97 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -177.665 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -49.35 -30.39 7.58 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 104.238 -2.505 . . . . 0.0 104.238 175.185 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.631 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -65.58 -53.68 38.43 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.966 -1.47 . . . . 0.0 108.865 176.435 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.474 ' O ' HG22 ' A' ' 11' ' ' VAL . 11.7 t80 -57.52 -20.7 33.23 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.485 -1.384 . . . . 0.0 109.817 178.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.555 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.92 -37.76 76.03 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.706 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 4.4 t0 -75.04 -27.56 60.09 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.324 -0.86 . . . . 0.0 109.408 178.869 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -30.65 63.36 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.518 -0.739 . . . . 0.0 109.383 179.135 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 16.4 m -78.5 -42.04 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.459 179.515 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.449 ' N ' HG21 ' A' ' 11' ' ' VAL . . . -69.83 -24.56 63.47 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.235 -0.916 . . . . 0.0 109.247 178.808 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 75.1 tt0 -74.72 -39.0 62.17 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.572 -0.705 . . . . 0.0 110.256 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.37 -52.0 38.03 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.282 -0.886 . . . . 0.0 109.936 179.807 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -28.02 69.65 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.937 -1.102 . . . . 0.0 108.514 178.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -63.1 -42.42 99.58 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.567 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' ALA . 35.8 mt-10 -65.58 -57.45 8.15 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.204 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.17 -58.42 0.31 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.034 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.0 m-30 -38.59 150.9 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.101 -0.999 . . . . 0.0 110.545 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.847 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -23.77 64.83 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.122 -0.986 . . . . 0.0 109.674 . . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.656 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.1 p-90 -60.01 -28.82 68.04 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.746 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -74.5 -46.38 39.79 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.063 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.6 -27.94 12.67 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 104.519 -2.401 . . . . 0.0 104.519 174.943 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.638 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.91 -45.81 59.87 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.862 177.402 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.488 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -59.63 -30.24 68.57 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.578 -1.326 . . . . 0.0 110.054 179.418 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -43.38 72.14 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.341 -0.849 . . . . 0.0 109.878 179.764 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -60.28 -53.57 56.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.271 -0.893 . . . . 0.0 110.283 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -22.19 65.83 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.33 -0.856 . . . . 0.0 109.591 179.797 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.488 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -69.93 -50.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 119.512 -0.875 . . . . 0.0 108.736 179.296 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -67.33 -23.56 65.63 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.63 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -66.96 -34.4 77.67 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.105 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -69.35 -45.89 68.3 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.535 179.265 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.547 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 5.8 mt -69.13 -25.15 64.24 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.158 -0.964 . . . . 0.0 109.316 179.303 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 12.4 tptt -67.39 -47.93 68.88 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.562 -0.711 . . . . 0.0 109.121 179.448 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.4 tt0 -64.85 -51.33 62.62 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.568 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.71 -70.06 0.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.317 178.748 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 13.5 p90 -107.42 -160.17 0.72 Allowed 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.96 -1.087 . . . . 0.0 110.325 179.678 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.276 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.698 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -31.39 65.84 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.247 -0.908 . . . . 0.0 110.063 . . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.1 p-90 -59.14 -25.67 64.08 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.842 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.634 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.89 -50.78 18.62 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -177.815 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.07 -27.4 13.73 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 175.835 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.62 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -64.68 -55.69 18.48 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.034 177.087 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -65.14 -11.99 46.12 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.335 -1.478 . . . . 0.0 108.865 178.461 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.83 -38.25 67.2 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 178.82 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -70.16 -37.03 75.11 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.857 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -68.99 -29.13 67.27 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.884 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -77.33 -38.21 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.371 -0.83 . . . . 0.0 109.837 179.732 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -72.29 -23.52 61.19 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 179.078 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -74.02 -44.04 55.85 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.547 -0.721 . . . . 0.0 109.406 179.548 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -73.62 -28.27 61.72 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.428 -0.795 . . . . 0.0 110.018 179.729 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -76.92 -27.93 55.09 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.4 179.295 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -48.04 69.39 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.183 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.5 mm-40 -62.26 -52.64 62.9 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.96 -63.14 0.39 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.974 -0.454 . . . . 0.0 111.075 179.156 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' A' ' 15' ' ' LEU . 6.2 m-30 -36.88 135.52 0.44 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.318 -0.864 . . . . 0.0 110.527 -179.685 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.77 -1.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.664 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -74.69 -34.25 62.61 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.159 -0.963 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.626 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.4 p-90 -57.53 -26.01 60.73 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 177.88 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.626 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.24 -49.77 26.0 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -177.736 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.5 -27.93 12.02 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 104.547 -2.39 . . . . 0.0 104.547 175.368 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -70.46 -46.63 63.42 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.439 177.665 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.478 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 37.8 t80 -69.15 -23.14 63.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.29 -1.506 . . . . 0.0 110.138 179.874 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.483 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -68.51 -47.63 66.48 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.273 -0.892 . . . . 0.0 110.197 179.805 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.77 -35.09 76.63 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.154 -0.966 . . . . 0.0 110.338 -179.894 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -26.27 62.13 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.145 -0.972 . . . . 0.0 109.859 179.753 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -77.75 -42.97 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.221 -0.924 . . . . 0.0 109.67 179.736 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -73.23 -21.84 60.56 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.299 -0.876 . . . . 0.0 109.239 178.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.71 -42.06 64.58 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.566 -0.709 . . . . 0.0 109.412 179.433 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -70.32 -39.74 74.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.485 -0.759 . . . . 0.0 109.973 179.716 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -70.32 -26.02 63.58 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.207 -0.933 . . . . 0.0 109.547 179.332 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -70.29 -51.51 29.86 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.697 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 28.1 mt-10 -58.24 -48.5 80.2 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.33 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.2 -77.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.796 -0.565 . . . . 0.0 110.21 178.882 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 41.6 p90 -108.04 163.22 13.33 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.095 -1.003 . . . . 0.0 110.356 -179.844 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.248 0 O-C-N 119.75 -1.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.594 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -70.28 -32.95 70.98 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.059 -1.026 . . . . 0.0 109.859 . . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.4 p-90 -59.74 -26.05 65.34 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.276 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.618 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.96 -54.05 11.15 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -177.334 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -52.93 -26.5 15.23 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 175.659 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.572 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.05 -41.66 70.47 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.451 177.663 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 10.6 t80 -70.2 -26.61 63.96 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.215 -1.553 . . . . 0.0 109.758 179.715 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -37.78 74.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.333 -0.854 . . . . 0.0 109.494 179.385 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.98 -40.69 68.41 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.416 -0.802 . . . . 0.0 110.298 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -27.52 65.89 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.287 -0.883 . . . . 0.0 108.967 179.221 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.473 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -74.78 -49.24 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 O-C-N 121.364 -0.835 . . . . 0.0 108.901 179.382 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.22 -23.11 67.28 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.081 178.963 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -67.82 -46.61 71.37 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.796 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.13 -36.08 82.41 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.343 179.061 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.575 HD13 ' CE2' ' A' ' 19' ' ' PHE . 1.8 mm? -78.27 -21.22 50.14 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.523 -0.736 . . . . 0.0 109.406 179.317 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -68.75 -57.07 6.15 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.011 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.0 tt0 -60.96 -43.68 98.38 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.055 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.494 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . . . -40.61 -73.33 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.102 178.75 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CE2' HD13 ' A' ' 15' ' ' LEU . 1.1 p90 -98.19 33.77 2.11 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.903 -1.123 . . . . 0.0 110.275 179.824 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.75 -1.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.6 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -26.0 65.74 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.176 -0.953 . . . . 0.0 109.687 . . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.642 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.2 p-90 -60.2 -28.08 67.68 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.759 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.642 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -72.93 -50.23 24.77 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -177.957 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.34 -27.44 9.73 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 175.305 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.624 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -70.47 -47.26 61.46 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.271 177.805 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.534 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 26.4 t80 -67.05 -24.56 65.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.309 -1.494 . . . . 0.0 109.917 179.737 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -62.57 1.46 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.318 -0.864 . . . . 0.0 110.554 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.81 -40.65 89.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 0.0 110.76 -179.496 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -68.05 -24.2 65.05 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.035 -1.041 . . . . 0.0 109.665 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 7' ' ' PHE . 2.6 t -76.44 -41.06 35.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 O-C-N 121.405 -0.81 . . . . 0.0 109.715 179.695 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.34 -22.44 61.91 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.379 -0.825 . . . . 0.0 110.016 179.647 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -75.24 -48.98 20.8 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.342 -0.849 . . . . 0.0 109.444 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -31.58 71.78 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.494 -0.754 . . . . 0.0 109.627 179.521 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 4.9 mt -75.01 -27.36 60.09 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.377 -0.827 . . . . 0.0 108.994 179.033 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 50.5 tptt -64.7 -43.75 92.48 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.096 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.5 mt-10 -68.77 -57.18 5.99 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.412 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -34.8 -59.7 0.47 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.97 -0.456 . . . . 0.0 111.216 179.218 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 12.9 m-85 -36.01 -30.66 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.182 -0.949 . . . . 0.0 110.716 -179.848 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.508 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.654 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.84 -27.43 62.88 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.134 -0.979 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.657 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.2 p-90 -60.42 -28.74 68.5 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 177.846 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.657 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.76 -50.14 32.71 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -178.216 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -51.98 -27.05 12.03 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 175.22 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.626 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -70.51 -47.23 61.48 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.595 177.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -68.42 -21.56 64.66 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.184 -1.572 . . . . 0.0 110.157 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -70.14 -71.22 0.25 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.21 -0.931 . . . . 0.0 109.289 179.042 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -49.79 -32.49 14.09 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.074 -1.016 . . . . 0.0 108.7 178.713 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 20.7 mttm -66.06 -32.26 73.62 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.687 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.551 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -69.92 -34.11 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.194 179.562 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.551 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -73.1 -24.68 60.67 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.986 179.448 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -45.03 46.81 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 121.265 -0.897 . . . . 0.0 109.646 179.723 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -70.59 -35.12 72.85 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.313 -0.867 . . . . 0.0 109.938 179.672 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 11' ' ' VAL . 4.8 mp -68.69 -31.02 69.82 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.464 -0.773 . . . . 0.0 109.065 179.243 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 4.3 tptp -68.32 -46.3 70.61 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.182 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 tt0 -57.66 -63.05 1.37 Allowed 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.338 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.17 -59.79 0.42 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 122.059 -0.401 . . . . 0.0 111.116 179.22 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.9 m-30 -37.5 -42.06 0.49 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.28 -0.887 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.965 -1.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.733 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -87.69 -49.29 7.24 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.114 -0.991 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.65 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.5 p-90 -54.43 -25.19 23.48 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 178.295 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.65 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.99 -47.97 26.52 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -177.885 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -50.75 -28.68 9.68 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 104.504 -2.406 . . . . 0.0 104.504 175.25 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.634 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -68.1 -53.06 28.17 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.275 -1.329 . . . . 0.0 109.343 176.909 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.494 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 51.8 t80 -57.88 -20.4 36.49 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.357 -1.464 . . . . 0.0 108.793 178.695 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.14 -51.44 53.9 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.548 0.69 . . . . 0.0 109.697 179.447 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -58.52 -52.16 66.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.869 . . . . 0.0 110.207 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 50.9 mttm -61.06 -26.41 67.62 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.214 -0.929 . . . . 0.0 108.676 179.395 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -66.6 -39.79 84.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.63 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.22 -23.79 64.85 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 120.075 -0.65 . . . . 0.0 109.667 179.204 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 1.8 mm-40 -68.02 -46.41 71.31 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.039 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 66.2 tttt -64.06 -38.26 90.41 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.001 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.568 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -76.9 -19.98 56.78 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.392 -0.818 . . . . 0.0 109.467 179.018 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -67.47 -48.9 65.81 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.501 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.551 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 13.7 pt-20 -72.33 -45.04 61.66 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.318 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 17' ' ' GLU . . . -40.34 -63.85 0.58 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.661 -0.649 . . . . 0.0 110.656 178.814 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 9.3 m-85 -29.71 -53.02 0.14 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.619 -0.676 . . . . 0.0 111.128 -179.799 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.005 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.587 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.75 -27.27 62.87 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.127 -0.983 . . . . 0.0 109.928 . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.642 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.1 p-90 -59.6 -27.91 66.71 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 177.866 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.642 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.01 -49.48 28.65 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -178.153 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 4' ' ' LEU . 34.8 tttp -51.03 -27.82 8.75 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 104.866 -2.272 . . . . 0.0 104.866 175.282 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.619 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -70.65 -50.54 35.71 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.74 177.965 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.578 ' CE2' ' CG2' ' A' ' 11' ' ' VAL . 61.1 t80 -70.85 -15.46 62.64 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.278 -1.514 . . . . 0.0 109.709 179.85 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.41 -59.53 2.93 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.545 -0.722 . . . . 0.0 109.857 179.829 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -57.69 -44.94 86.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.287 -0.883 . . . . 0.0 110.216 179.879 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -63.97 -26.79 68.74 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.202 -0.936 . . . . 0.0 109.142 179.582 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.578 ' CG2' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -70.89 -39.63 75.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.542 -0.724 . . . . 0.0 109.182 179.488 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -68.13 -24.35 65.0 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.528 -0.732 . . . . 0.0 110.215 179.951 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' OE1' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.2 -45.31 49.12 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.236 -0.915 . . . . 0.0 109.847 -179.984 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.529 ' CE ' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.43 -37.72 80.53 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.393 -0.817 . . . . 0.0 110.444 -179.778 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.2 mm? -74.06 -25.59 59.92 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.127 -0.983 . . . . 0.0 109.17 179.129 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 2.2 ttmm -65.66 -44.19 87.08 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.272 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.1 tt0 -69.06 -53.29 21.18 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.358 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.89 -60.14 0.46 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 122.104 -0.372 . . . . 0.0 111.095 179.078 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.477 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.7 m-30 -34.76 118.72 0.43 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.252 -0.905 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.618 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.23 -30.97 63.86 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.113 -0.992 . . . . 0.0 109.77 . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.4 p-90 -58.98 -26.88 64.87 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.689 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.97 -51.3 22.66 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -177.915 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' LEU . 8.4 mtpm? -51.82 -27.03 11.13 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 104.932 -2.247 . . . . 0.0 104.932 175.475 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.624 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -69.83 -47.21 63.61 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.539 177.986 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 53.6 t80 -68.75 -19.98 64.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.198 -1.564 . . . . 0.0 110.258 179.752 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.505 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -69.43 -58.88 3.43 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.127 -0.983 . . . . 0.0 109.355 179.496 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 1.4 m-20 -54.14 -40.38 67.35 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.181 -0.949 . . . . 0.0 109.264 179.196 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -30.63 71.65 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.887 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.574 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -67.67 -34.64 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.408 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.574 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -72.11 -22.56 61.32 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.746 0.784 . . . . 0.0 109.22 178.954 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.77 -38.88 67.17 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.527 -0.733 . . . . 0.0 109.615 179.393 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 1.9 mmmp? -77.51 -36.48 52.52 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.04 -179.525 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.0 -25.51 55.84 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.914 -1.116 . . . . 0.0 109.493 179.491 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -49.15 57.25 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.736 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' A' ' 17' ' ' GLU . 5.7 tp10 -64.77 -47.0 79.76 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.012 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.49 -63.77 0.48 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.93 -0.481 . . . . 0.0 110.958 179.091 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.5 m-85 -34.86 -70.39 0.08 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.178 -0.951 . . . . 0.0 110.895 -179.618 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.753 -1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.402 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -71.72 -33.44 68.73 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.23 -0.919 . . . . 0.0 109.889 . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.7 p-90 -57.27 -26.27 60.56 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 177.942 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.634 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.61 -51.04 21.31 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -177.802 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.6 tmtm? -51.4 -27.64 10.58 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 104.731 -2.322 . . . . 0.0 104.731 175.411 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.12 -45.42 63.66 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.376 177.662 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.493 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 35.4 t80 -70.73 -21.61 62.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.293 -1.505 . . . . 0.0 109.984 179.689 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' O ' HG13 ' A' ' 11' ' ' VAL . 12.0 t80 -67.54 -61.46 1.89 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.295 -0.878 . . . . 0.0 109.933 179.727 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.37 -32.45 71.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.101 -1.0 . . . . 0.0 109.97 179.815 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -69.53 -28.68 66.23 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.325 -0.859 . . . . 0.0 109.582 179.545 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -77.46 -37.28 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.433 -0.792 . . . . 0.0 109.85 179.855 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.529 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -73.84 -23.01 59.57 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.372 -0.83 . . . . 0.0 109.787 179.584 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -75.81 -46.51 30.19 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.421 -0.799 . . . . 0.0 109.747 179.885 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -70.33 -34.67 72.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.371 -0.83 . . . . 0.0 109.885 179.731 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 6.9 mp -76.21 -23.79 54.63 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.307 -0.87 . . . . 0.0 109.593 179.42 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 1.6 tttt -68.25 -49.19 62.31 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.552 -0.906 . . . . 0.0 108.552 179.265 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.9 tt0 -65.53 -50.72 64.16 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.404 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.99 -73.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.723 -0.61 . . . . 0.0 110.254 178.991 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 40.1 p90 -108.86 38.74 2.19 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.948 -1.095 . . . . 0.0 110.387 -179.917 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.477 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.685 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 4' ' ' LEU . 9.6 t70 -84.89 -45.7 12.0 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.268 -0.895 . . . . 0.0 110.398 . . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.651 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 1.1 p-90 -56.4 -21.42 24.95 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 177.576 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.595 ' HG ' ' NE1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.34 -48.42 34.46 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -178.585 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 4' ' ' LEU . 22.4 tttt -51.05 -27.97 9.21 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 175.247 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.651 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -67.23 -56.24 10.68 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.015 177.197 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.47 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 20.6 t80 -60.74 -18.68 56.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.25 -1.531 . . . . 0.0 109.568 179.327 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -71.04 -61.18 1.86 Allowed 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.502 -0.749 . . . . 0.0 109.677 179.252 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 6.0 m-20 -54.31 -42.53 70.22 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.288 -0.883 . . . . 0.0 109.404 179.345 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -69.04 -23.98 64.13 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.485 -0.759 . . . . 0.0 109.478 179.224 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.52 HG11 ' N ' ' A' ' 12' ' ' ALA . 1.1 t -66.91 -48.03 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.501 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.52 ' N ' HG11 ' A' ' 11' ' ' VAL . . . -68.23 -25.76 65.36 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.224 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -26.57 66.15 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.277 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -78.01 -41.9 34.29 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.637 -0.664 . . . . 0.0 109.418 179.139 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.583 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -58.92 -36.12 74.21 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.765 -1.21 . . . . 0.0 107.751 178.417 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 1.8 tmtt? -60.73 -45.03 95.84 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.621 0.724 . . . . 0.0 109.291 179.301 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.4 tt0 -70.98 -67.67 0.49 Allowed 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.06 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -22.15 -59.67 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 120.869 0.366 . . . . 0.0 111.665 178.906 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 8.9 p90 -117.29 -21.94 8.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.759 -1.213 . . . . 0.0 110.539 179.919 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.522 ' N ' ' CD1' ' A' ' 19' ' ' PHE . . . . . . . . 0 C--N 1.302 -1.488 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.59 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -71.64 -26.31 62.5 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.26 -0.9 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.68 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -61.64 -28.32 69.29 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.158 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.68 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -74.75 -51.36 14.39 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -177.076 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -50.31 -28.5 7.99 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 175.694 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.598 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -67.43 -50.16 60.54 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.317 -1.31 . . . . 0.0 110.204 177.263 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.559 ' CE1' HG22 ' A' ' 11' ' ' VAL . 12.1 t80 -66.57 -42.91 86.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.329 -1.482 . . . . 0.0 110.415 179.856 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -30.15 60.69 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.1 -1.0 . . . . 0.0 109.964 179.747 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -80.39 -42.9 21.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.28 -0.888 . . . . 0.0 111.682 -179.195 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -30.27 71.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.332 179.875 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG22 ' CE1' ' A' ' 7' ' ' PHE . 7.7 t -78.69 -46.85 24.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.505 -0.747 . . . . 0.0 109.797 179.79 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -62.48 -22.9 66.6 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.302 -0.874 . . . . 0.0 109.437 179.414 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.09 -46.87 55.1 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.543 -0.723 . . . . 0.0 109.085 179.301 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -45.95 91.47 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.265 179.619 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mp -63.99 -29.44 70.6 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.006 -1.059 . . . . 0.0 108.917 179.219 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 2.3 tttp -63.12 -41.49 99.34 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.952 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -67.33 -57.84 5.89 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.62 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.92 -65.72 0.21 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.955 179.535 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 2.8 p90 -112.1 155.28 24.13 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.726 -1.234 . . . . 0.0 110.58 179.886 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.263 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.44 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.646 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -75.28 -32.94 61.19 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.004 -1.06 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.633 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -57.81 -23.97 55.11 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 177.589 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.581 ' HG ' ' NE1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.52 -47.16 34.62 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -178.58 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.2 ttpp -50.88 -28.14 8.95 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 104.5 -2.407 . . . . 0.0 104.5 175.021 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.633 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -69.19 -53.0 22.26 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.304 177.732 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.536 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 28.9 t80 -67.89 -18.42 64.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.407 -1.433 . . . . 0.0 110.42 179.932 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.484 ' O ' HG21 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -78.54 -30.09 46.76 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.07 -1.019 . . . . 0.0 110.428 -179.861 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -81.41 -37.01 28.81 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.071 -1.018 . . . . 0.0 110.101 179.672 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.86 -29.04 65.05 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.291 -0.881 . . . . 0.0 109.589 179.423 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.536 ' CG1' ' O ' ' A' ' 7' ' ' PHE . 34.2 m -80.6 -47.33 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.362 -0.836 . . . . 0.0 110.004 179.667 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -66.0 -23.39 66.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.769 179.304 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.01 -45.69 40.13 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.519 -0.738 . . . . 0.0 109.521 179.652 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -68.78 -28.81 67.12 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.336 -0.853 . . . . 0.0 110.127 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -80.01 -26.82 39.67 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.353 -0.842 . . . . 0.0 109.148 179.072 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 12.3 mttt -62.16 -46.13 90.36 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.205 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' ALA . 28.5 mm-40 -71.33 -52.12 20.51 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.342 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.81 -59.06 0.35 Allowed 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.307 179.383 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 6.3 m-30 -35.87 126.18 0.71 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.303 -0.873 . . . . 0.0 110.561 -179.624 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.968 -1.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.471 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.706 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 3' ' ' TRP . 6.9 p30 -70.83 -32.27 69.27 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.163 -0.961 . . . . 0.0 109.893 . . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.624 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 1.9 p-90 -57.99 -26.25 62.12 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 177.808 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.622 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.52 -50.77 28.14 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -178.26 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -51.04 -28.32 9.96 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 175.345 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.624 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -70.53 -45.22 65.96 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.246 177.815 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.493 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 21.2 t80 -62.42 -24.14 67.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.055 -1.653 . . . . 0.0 109.363 179.178 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.499 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -72.51 -38.38 68.11 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.392 -0.818 . . . . 0.0 109.974 179.668 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 6.5 m-20 -72.77 -37.06 67.75 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.096 -1.002 . . . . 0.0 110.306 -179.927 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -25.09 58.03 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.139 -0.976 . . . . 0.0 109.568 179.405 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.512 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -77.76 -37.86 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.06 -1.025 . . . . 0.0 108.746 178.932 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.512 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -72.5 -25.21 61.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.286 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -33.65 66.54 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.336 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -70.04 -43.69 70.77 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.64 -0.663 . . . . 0.0 109.63 179.363 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 12.3 mt -69.26 -27.45 65.45 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.161 -0.962 . . . . 0.0 108.875 178.936 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.15 -44.84 82.98 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.403 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . 18.0 tt0 -66.41 -50.9 61.87 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.313 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.15 -70.12 0.11 Allowed 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.554 178.993 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.451 ' O ' ' O ' ' A' ' 16' ' ' LYS . 4.0 p90 -108.14 172.01 7.08 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.101 -1.0 . . . . 0.0 110.551 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 119.946 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.712 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -68.38 -23.7 64.69 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.263 -0.898 . . . . 0.0 109.809 . . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.671 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -61.5 -28.14 69.1 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 177.914 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.671 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -76.61 -45.79 28.72 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -178.169 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 4' ' ' LEU . 3.2 ttpt -50.14 -29.35 8.98 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 104.242 -2.503 . . . . 0.0 104.242 174.872 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.636 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -69.05 -50.98 43.65 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.173 176.59 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' CE1' HG21 ' A' ' 11' ' ' VAL . 32.4 t80 -59.39 -22.96 62.18 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.529 -1.357 . . . . 0.0 109.368 178.936 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -71.89 -36.64 70.11 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.54 -0.725 . . . . 0.0 109.928 179.724 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -51.16 22.58 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.358 -0.839 . . . . 0.0 110.024 179.732 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -30.74 66.15 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.965 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 7' ' ' PHE . 2.1 t -71.49 -47.85 56.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 178.569 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' VAL . . . -43.18 -37.31 2.04 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.257 -0.902 . . . . 0.0 109.795 179.353 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 74.7 mt-10 -71.55 -41.91 68.52 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.288 -0.883 . . . . 0.0 109.424 179.119 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -66.79 -61.25 2.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.454 -0.779 . . . . 0.0 110.755 179.837 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.592 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 1.3 tp -56.92 -27.14 60.56 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.929 -1.107 . . . . 0.0 109.048 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 13.6 ttpt -62.61 -46.28 89.01 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.232 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -67.31 -62.28 1.5 Allowed 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 178.542 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -31.27 -58.27 0.24 Allowed 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.682 179.066 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 15.3 m-30 -35.96 -93.59 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.309 -0.87 . . . . 0.0 110.9 -179.406 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.673 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.693 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -67.24 -28.3 67.94 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.051 -1.031 . . . . 0.0 109.318 . . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.5 p-90 -60.41 -27.97 67.89 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 178.056 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.635 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -72.3 -53.22 13.07 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -177.366 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.7 mmpt? -52.55 -26.91 14.56 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 175.387 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.28 -42.37 68.81 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.191 177.496 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 1.8 t80 -68.89 -22.33 64.19 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.298 -1.501 . . . . 0.0 109.244 179.454 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -43.44 78.83 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.526 -0.734 . . . . 0.0 109.114 179.08 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -62.04 -52.84 62.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.541 -0.724 . . . . 0.0 110.308 179.816 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -59.4 -29.37 67.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.971 -1.081 . . . . 0.0 108.367 179.16 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.2 t -64.92 -40.02 87.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.965 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.87 -20.47 61.1 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.698 0.761 . . . . 0.0 109.484 178.941 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -67.24 -42.58 83.76 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.37 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -72.5 -36.07 68.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.503 -0.748 . . . . 0.0 109.919 179.51 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -66.96 -30.15 70.2 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.169 -0.957 . . . . 0.0 108.861 178.823 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' PHE . 6.3 mttt -66.14 -42.18 89.42 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.446 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' ALA . 24.2 tp10 -65.48 -56.17 13.91 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.748 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.09 -69.79 0.11 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.937 -0.477 . . . . 0.0 110.522 179.166 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.472 ' O ' ' O ' ' A' ' 16' ' ' LYS . 2.9 p90 -106.54 -164.7 1.02 Allowed 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.803 -1.185 . . . . 0.0 110.465 -179.936 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 119.743 -1.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.683 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.41 ' O ' ' HB1' ' A' ' 6' ' ' ALA . 5.1 t0 -67.05 -24.59 66.0 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.121 -0.987 . . . . 0.0 109.465 . . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.655 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.3 p-90 -61.48 -28.86 69.59 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 178.093 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.655 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.77 -50.99 15.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -177.539 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.5 mttp -51.6 -25.41 6.89 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 175.235 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.597 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -73.55 -45.03 55.97 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.354 177.462 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 9.7 t80 -70.78 -28.58 64.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.487 -1.383 . . . . 0.0 110.647 -179.845 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.491 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -65.48 -66.17 0.58 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.305 -0.872 . . . . 0.0 110.208 179.821 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -52.58 -39.04 61.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 110.37 -179.736 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 3.1 mttp -66.37 -29.18 69.3 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.18 -0.95 . . . . 0.0 109.414 179.826 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -73.59 -34.58 42.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.799 179.745 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.543 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -72.67 -23.9 60.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 110.178 179.617 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -77.19 -47.94 18.95 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.232 -0.917 . . . . 0.0 110.212 -179.655 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -69.16 -37.81 78.42 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.36 -0.837 . . . . 0.0 110.289 -179.718 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.586 HD22 ' CE1' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -76.14 -24.72 54.89 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.236 -0.915 . . . . 0.0 109.383 179.224 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.9 tppp? -67.38 -45.69 75.5 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.115 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -65.84 -50.76 63.43 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.988 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.43 -60.63 0.57 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.783 178.77 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.586 ' CE1' HD22 ' A' ' 15' ' ' LEU . 14.9 m-85 -36.63 128.63 0.81 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.069 -1.02 . . . . 0.0 110.585 -179.922 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.423 0 O-C-N 119.948 -1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.408 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.696 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.42 -38.21 42.0 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.156 -0.965 . . . . 0.0 110.218 . . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.635 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 1.6 p-90 -55.31 -23.15 21.98 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 177.674 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.58 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.74 -49.03 27.54 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -178.499 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.2 tppt? -50.71 -28.52 9.24 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 104.6 -2.371 . . . . 0.0 104.6 175.144 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.635 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -68.79 -50.75 47.71 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.768 177.396 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -63.13 -18.59 63.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.378 -1.451 . . . . 0.0 109.391 179.087 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.516 ' O ' HG13 ' A' ' 11' ' ' VAL . 1.8 t80 -70.13 -48.28 58.18 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.137 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 18.3 t0 -70.42 -26.75 63.82 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.221 -0.924 . . . . 0.0 109.337 179.066 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -29.33 62.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.835 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -71.89 -44.29 67.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.617 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -68.26 -23.88 64.82 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.152 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -71.39 -31.06 66.86 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.948 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -49.78 47.08 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.79 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 3.6 mm? -65.84 -27.66 68.4 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.223 -0.923 . . . . 0.0 108.639 178.47 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 24.3 ttmt -65.06 -41.85 94.74 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.259 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 18' ' ' ALA . 17.0 tp10 -69.07 -60.48 2.32 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 178.655 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -33.47 -58.03 0.41 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.956 -0.465 . . . . 0.0 111.131 179.154 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 12.1 m-30 -37.84 -54.09 1.27 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.015 -1.053 . . . . 0.0 110.64 -179.967 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.841 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.622 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 1.3 m-20 -70.29 -28.01 64.86 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.153 -0.967 . . . . 0.0 109.851 . . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.649 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.2 p-90 -60.89 -27.14 67.94 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 178.053 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.649 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.54 -51.77 15.83 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -177.818 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 4' ' ' LEU . 8.9 mtmt -52.41 -26.5 12.77 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 175.478 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.608 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -68.7 -49.61 57.56 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.203 177.726 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -65.51 -20.8 66.49 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.231 -1.543 . . . . 0.0 109.532 179.348 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -37.84 70.58 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.45 -0.781 . . . . 0.0 109.873 179.433 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -69.66 -49.77 50.39 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.324 -0.86 . . . . 0.0 110.003 179.807 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -61.37 -28.14 69.02 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.28 -0.887 . . . . 0.0 108.663 179.354 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -76.07 -38.44 35.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.088 179.817 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.59 -25.51 64.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.274 -0.891 . . . . 0.0 109.904 179.29 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.52 -43.16 60.66 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.384 -0.822 . . . . 0.0 109.029 179.54 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -27.27 62.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.46 -0.775 . . . . 0.0 110.211 179.723 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.577 HD11 ' CE1' ' A' ' 19' ' ' PHE . 23.7 tp -77.67 -28.92 51.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.265 -0.897 . . . . 0.0 108.966 179.238 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 17.6 tttt -70.76 -54.06 13.13 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.995 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' ALA . 21.2 tp10 -56.68 -44.68 81.68 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.59 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -39.73 -65.66 0.37 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.58 178.667 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CE1' HD11 ' A' ' 15' ' ' LEU . 17.8 m-85 -31.21 -38.51 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.499 -0.751 . . . . 0.0 111.092 -179.671 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.683 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 6.4 m-20 -74.31 -31.37 62.45 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.261 -0.899 . . . . 0.0 110.104 . . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.657 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.3 p-90 -57.49 -27.21 62.33 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.934 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.657 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -74.97 -49.11 21.06 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -177.482 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' LEU . 59.7 mttm -51.44 -27.11 9.34 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 104.726 -2.324 . . . . 0.0 104.726 175.335 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.61 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.41 -46.48 60.1 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.193 177.389 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 58.3 t80 -73.02 -19.04 61.27 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.577 -1.327 . . . . 0.0 110.057 179.859 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.505 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -75.62 -35.92 60.37 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.191 -0.943 . . . . 0.0 108.775 179.132 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 66.5 m-20 -71.46 -36.97 71.38 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.505 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -28.93 66.64 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.509 -0.744 . . . . 0.0 109.062 178.794 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.505 HG11 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -75.46 -42.69 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.367 179.625 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -68.18 -24.79 65.0 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.438 -0.789 . . . . 0.0 109.278 179.016 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 27.8 mm-40 -72.92 -39.83 65.96 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.594 -0.691 . . . . 0.0 109.415 179.401 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -68.84 -40.61 79.34 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.323 -0.861 . . . . 0.0 109.679 179.548 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.594 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 35.2 mt -71.35 -27.33 63.29 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.343 -0.848 . . . . 0.0 109.021 179.055 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 0.6 OUTLIER -67.44 -40.91 85.45 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.626 0.727 . . . . 0.0 109.068 179.622 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 18' ' ' ALA . 6.9 tt0 -71.65 -55.06 8.45 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.651 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -39.16 -70.64 0.1 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.768 -0.583 . . . . 0.0 110.811 179.273 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 17.9 p90 -107.02 -11.31 15.69 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.799 -1.188 . . . . 0.0 110.491 -179.675 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.533 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.302 -1.498 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.599 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -68.31 -21.86 64.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.119 -0.988 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.659 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.1 p-90 -61.54 -30.04 70.4 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.777 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.659 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -73.74 -48.73 29.71 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -178.196 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -50.62 -28.28 8.5 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 104.527 -2.397 . . . . 0.0 104.527 174.961 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.635 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -70.6 -47.85 58.12 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.073 177.32 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 2.0 t80 -67.73 -19.06 65.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.355 -1.466 . . . . 0.0 109.702 179.369 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.492 ' O ' HG11 ' A' ' 11' ' ' VAL . 1.2 t80 -71.16 -41.41 70.42 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.187 -0.945 . . . . 0.0 108.729 179.023 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.69 -37.46 82.33 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.292 -0.88 . . . . 0.0 109.361 179.177 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -71.77 -25.24 61.95 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.387 -0.821 . . . . 0.0 109.189 179.151 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.508 HG11 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -73.18 -42.92 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.393 -0.817 . . . . 0.0 108.925 179.349 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.508 ' N ' HG11 ' A' ' 11' ' ' VAL . . . -70.6 -20.66 62.74 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 178.992 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 4.9 tp10 -71.76 -43.66 65.37 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.366 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -40.73 77.78 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.48 -0.763 . . . . 0.0 109.414 179.152 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 4.5 mp -68.46 -28.31 66.93 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.588 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 4.7 ttmt -67.59 -38.2 83.67 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.337 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -70.61 -54.37 12.28 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.408 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.9 -73.77 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.865 -0.522 . . . . 0.0 110.201 178.894 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 17.4 p90 -108.87 -10.76 15.08 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.925 -1.109 . . . . 0.0 110.636 -179.611 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.532 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.303 -1.432 0 O-C-N 119.782 -1.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.709 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -72.55 -28.06 62.6 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.11 -0.994 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -60.3 -26.44 66.52 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.686 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.71 -46.97 34.11 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -177.898 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 4' ' ' LEU . 3.6 mtmt -51.69 -26.81 9.97 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 175.351 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.623 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -70.32 -56.25 7.17 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.032 178.227 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -71.44 -14.39 62.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.238 -1.539 . . . . 0.0 110.788 -179.53 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -75.54 -46.8 29.93 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.136 -0.978 . . . . 0.0 110.022 -179.905 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -65.47 -43.33 90.61 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.375 -0.828 . . . . 0.0 110.277 -179.894 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' HA ' ' CD ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -62.37 -31.84 72.55 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.034 -1.041 . . . . 0.0 108.634 179.161 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.27 -39.5 81.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.01 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -65.31 -28.23 69.17 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.522 -0.736 . . . . 0.0 109.355 178.797 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.424 ' CD ' ' HA ' ' A' ' 10' ' ' LYS . 9.9 mt-10 -66.41 -38.0 86.49 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.109 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -45.82 74.41 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.514 -0.741 . . . . 0.0 109.614 179.056 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.529 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -66.48 -26.2 67.07 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.218 -0.926 . . . . 0.0 109.1 179.144 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.58 -46.18 76.84 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.979 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.5 mm-40 -61.33 -60.04 4.35 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.168 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.42 -58.58 0.48 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.052 178.972 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 -37.45 -32.88 0.06 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.189 -0.944 . . . . 0.0 110.673 -179.974 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.425 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.789 -1.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.673 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.82 -33.06 70.31 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.243 -0.911 . . . . 0.0 109.819 . . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.5 p-90 -57.81 -26.82 62.48 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 178.078 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.635 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.19 -50.32 23.18 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -178.074 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.73 -26.97 10.5 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 175.204 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.613 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -71.77 -46.8 57.18 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.76 178.128 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.576 ' CE1' HG21 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -73.14 -18.48 61.28 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 120.309 -1.495 . . . . 0.0 109.949 -179.917 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -76.15 -57.37 3.91 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.286 -0.884 . . . . 0.0 110.36 -179.953 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.82 -42.24 83.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.138 -0.976 . . . . 0.0 110.391 -179.721 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -67.82 -27.26 66.57 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.2 -0.937 . . . . 0.0 109.34 179.754 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.576 HG21 ' CE1' ' A' ' 7' ' ' PHE . 1.3 t -76.97 -50.62 20.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.441 -0.787 . . . . 0.0 109.603 179.771 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -61.17 -24.44 66.31 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.442 -0.786 . . . . 0.0 109.653 179.556 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.66 -45.81 60.83 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.478 -0.764 . . . . 0.0 109.463 179.696 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -45.53 80.52 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.704 179.847 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 51.7 mt -62.99 -29.56 70.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.91 -1.119 . . . . 0.0 108.694 179.126 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -62.66 -39.5 94.12 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.876 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.8 mt-10 -70.47 -60.08 2.47 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.532 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.39 -64.75 0.23 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.973 -0.454 . . . . 0.0 111.073 179.406 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 3.1 p90 -112.59 32.41 5.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.671 -1.268 . . . . 0.0 110.498 179.78 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.021 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.63 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -33.41 65.22 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.228 -0.92 . . . . 0.0 110.299 . . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.635 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 1.3 p-90 -57.37 -25.82 60.06 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.103 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.63 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.94 -49.2 30.85 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -177.946 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 4' ' ' LEU . 1.4 tttt -51.41 -27.78 11.05 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 175.191 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.635 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -70.23 -48.89 54.99 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.216 177.487 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.437 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 6.2 t80 -69.1 -18.78 64.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.364 -1.46 . . . . 0.0 109.803 179.662 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.485 ' O ' HG11 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -71.77 -64.3 0.96 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.342 -0.849 . . . . 0.0 109.383 179.6 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 6.4 t0 -59.44 -29.4 67.75 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.614 179.337 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 7.0 mmtt -71.57 -28.54 63.91 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.294 -0.879 . . . . 0.0 109.237 179.119 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -69.99 -44.88 78.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.976 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -71.45 -21.7 61.92 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.289 178.78 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -73.13 -36.63 66.74 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.655 -0.653 . . . . 0.0 109.637 179.569 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -75.69 -37.9 59.13 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.475 -0.765 . . . . 0.0 110.359 -179.853 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.573 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 5.8 mt -73.65 -26.12 60.6 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.153 -0.967 . . . . 0.0 109.383 179.278 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 15.3 tttt -70.45 -50.39 38.8 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.233 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.3 -46.25 90.51 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.168 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.91 -73.19 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.757 -0.589 . . . . 0.0 110.14 179.047 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 18.5 p90 -105.48 134.55 48.41 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.899 -1.125 . . . . 0.0 110.17 179.784 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.772 -1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.632 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -71.64 -29.62 64.85 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.08 -1.013 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 1.2 p-90 -58.93 -27.25 65.11 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.922 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.48 -49.55 26.15 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -177.687 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 37.7 tttt -51.87 -27.62 13.33 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 175.43 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.617 ' CB ' ' O ' ' A' ' 3' ' ' TRP . . . -69.85 -47.77 61.43 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.037 177.623 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.469 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 48.0 t80 -69.35 -20.26 63.85 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.337 -1.477 . . . . 0.0 109.785 179.552 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.485 ' O ' HG13 ' A' ' 11' ' ' VAL . 1.7 t80 -68.07 -50.75 53.15 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.356 -0.84 . . . . 0.0 110.194 179.829 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.44 -35.27 78.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.192 -0.943 . . . . 0.0 110.458 -179.744 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -30.26 69.49 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.174 -0.954 . . . . 0.0 109.344 179.431 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -75.48 -41.22 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.467 -0.771 . . . . 0.0 109.769 179.81 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.497 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -71.39 -22.25 61.9 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.35 -0.844 . . . . 0.0 109.654 179.409 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -43.76 62.33 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.574 -0.703 . . . . 0.0 109.444 179.549 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -70.01 -35.19 74.17 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.931 179.61 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 8.0 mp -74.88 -24.23 58.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.197 -0.939 . . . . 0.0 109.413 179.222 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -68.59 -50.21 53.39 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.04 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -62.66 -48.44 79.32 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.376 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.32 -76.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.884 -0.51 . . . . 0.0 110.286 178.904 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 13.9 p90 -99.49 160.28 14.4 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.975 -1.078 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.521 -0.178 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.487 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 53.0 t80 -70.0 -23.4 63.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.274 -1.516 . . . . 0.0 110.036 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.643 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.5 t80 -67.25 -63.0 1.15 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.233 -0.917 . . . . 0.0 109.771 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -60.1 -31.5 70.09 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.194 -0.941 . . . . 0.0 109.907 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.54 -28.83 66.35 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.317 -0.865 . . . . 0.0 109.582 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.772 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -77.32 -37.31 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.353 -0.842 . . . . 0.0 109.767 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.64 -23.6 60.93 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.391 -0.818 . . . . 0.0 109.766 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -75.56 -46.13 33.78 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.475 -0.766 . . . . 0.0 109.805 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -67.19 -40.83 86.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.394 -0.816 . . . . 0.0 109.852 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 11' ' ' VAL . 5.2 mp -71.93 -24.55 61.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.245 -0.909 . . . . 0.0 109.405 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -68.1 -47.99 66.72 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.0 tt0 -65.03 -53.53 44.54 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -39.8 -72.44 0.06 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.816 -0.553 . . . . 0.0 110.369 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 43.3 p90 . . . . . 0 N--CA 1.485 1.313 0 O-C-N 120.96 -1.087 . . . . 0.0 110.315 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.145 0.021 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.488 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 51.9 t80 -71.86 -22.75 61.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.043 -1.661 . . . . 0.0 110.273 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.472 ' O ' HG12 ' A' ' 11' ' ' VAL . 66.9 t80 -69.22 -61.42 1.8 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.354 -0.841 . . . . 0.0 109.796 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 1.6 p30 -56.66 -37.18 70.45 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.975 -1.078 . . . . 0.0 109.758 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -62.82 -33.85 76.08 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.488 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -72.47 -37.02 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.412 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -23.04 65.74 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.538 -0.726 . . . . 0.0 109.654 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.55 -50.94 22.15 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.618 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -69.12 -18.77 64.01 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.217 178.803 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.532 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -85.01 -26.23 27.2 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.653 0.74 . . . . 0.0 109.013 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -64.73 -47.33 78.65 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.009 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.3 mp0 -74.7 -48.25 26.96 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 14' ' ' LYS . . . -35.35 -61.41 0.44 Allowed 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.48 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 11.7 m-85 . . . . . 0 N--CA 1.503 2.207 0 O-C-N 121.596 -0.69 . . . . 0.0 111.318 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 11' ' ' VAL . 22.2 t80 -63.56 -37.88 88.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.189 -1.569 . . . . 0.0 109.952 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.48 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -63.61 -23.05 67.22 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.263 -0.898 . . . . 0.0 109.371 179.322 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -83.52 -40.88 18.6 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.288 -0.883 . . . . 0.0 110.99 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -33.26 75.57 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.938 -1.101 . . . . 0.0 108.842 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.585 HG23 ' N ' ' A' ' 12' ' ' ALA . 32.6 m -76.41 -45.46 34.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.642 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.585 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -61.87 -24.13 66.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.405 -0.809 . . . . 0.0 110.025 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -48.41 39.31 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -22.35 65.55 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.789 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 2.9 mm? -84.67 -25.88 28.16 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -63.52 -45.93 88.36 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.111 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 mt-10 -71.53 -52.75 16.58 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.8 -59.42 0.48 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.998 -0.439 . . . . 0.0 111.408 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 16.0 m-85 . . . . . 0 N--CA 1.498 1.951 0 O-C-N 121.269 -0.894 . . . . 0.0 110.923 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.189 0.042 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.6 -23.03 63.47 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.069 -1.644 . . . . 0.0 110.806 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.8 -34.27 71.58 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.167 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -67.37 -50.17 60.87 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.435 -0.791 . . . . 0.0 109.833 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -61.88 -29.26 70.08 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -66.36 -40.54 86.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.584 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . . . -67.14 -26.97 66.94 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.841 -0.743 . . . . 0.0 109.44 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -34.7 78.03 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.668 0.747 . . . . 0.0 109.139 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -72.09 -54.38 9.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.793 -0.567 . . . . 0.0 111.727 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.986 HD12 ' N ' ' A' ' 16' ' ' LYS . 4.5 pp -57.36 -32.72 67.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.708 -1.245 . . . . 0.0 108.825 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.986 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -67.99 -40.03 83.15 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . 25.1 tp10 -61.16 -61.94 2.2 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.05 -70.94 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.327 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 43.4 p90 . . . . . 0 N--CA 1.485 1.279 0 O-C-N 120.858 -1.151 . . . . 0.0 110.223 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.519 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 C--O 1.211 -0.959 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.477 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 8.2 t80 -66.88 -21.61 66.0 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.523 -1.361 . . . . 0.0 109.579 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.82 -67.36 0.51 Allowed 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.523 -0.735 . . . . 0.0 109.75 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.403 ' OD2' ' HA ' ' A' ' 6' ' ' ALA . 1.3 p30 -53.02 -36.15 60.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.278 -0.889 . . . . 0.0 109.564 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 1.7 tptt -73.14 -24.25 60.56 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.309 -0.869 . . . . 0.0 109.361 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.1 t -70.46 -46.35 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -69.11 -23.81 64.04 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.468 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -67.68 -37.43 82.32 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.581 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -71.08 -34.87 71.58 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.53 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 3.1 mt -70.73 -29.77 66.12 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 5.0 mttp -66.74 -45.19 79.43 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' ALA . 30.6 tt0 -62.18 -57.09 12.79 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.09 -59.53 0.61 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.941 -0.475 . . . . 0.0 111.026 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 6.0 m-30 . . . . . 0 N--CA 1.501 2.094 0 O-C-N 121.233 -0.917 . . . . 0.0 110.412 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 9' ' ' ASP . . . . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.533 0.206 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.527 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 16.8 t80 -74.74 -21.56 59.28 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.332 -1.48 . . . . 0.0 110.724 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.448 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -75.27 -64.51 1.04 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.28 -0.887 . . . . 0.0 110.498 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 7.8 p-10 -55.82 -37.02 68.12 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.915 . . . . 0.0 110.016 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.49 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 17.6 ttpt -64.14 -33.4 75.68 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -69.47 -37.97 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.014 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.78 -22.36 62.39 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.613 -0.679 . . . . 0.0 109.704 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.85 -42.92 66.34 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.482 -0.762 . . . . 0.0 109.243 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -74.85 -36.64 62.34 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.762 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.579 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 19.3 mt -73.63 -24.73 60.06 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.119 -0.988 . . . . 0.0 109.797 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -51.68 20.32 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.259 -0.901 . . . . 0.0 109.029 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.5 tt0 -60.46 -55.8 29.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -37.78 -63.55 0.46 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.862 -0.524 . . . . 0.0 110.946 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 15' ' ' LEU . 9.6 m-30 . . . . . 0 N--CA 1.499 1.987 0 O-C-N 121.29 -0.881 . . . . 0.0 111.017 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.862 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.784 ' O ' HG22 ' A' ' 11' ' ' VAL . 66.3 t80 -62.15 -26.52 68.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.315 -1.491 . . . . 0.0 110.0 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -32.16 70.28 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.137 -0.977 . . . . 0.0 109.899 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 9.0 m-20 -81.84 -28.26 33.15 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.99 -1.069 . . . . 0.0 109.9 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -73.07 -32.76 65.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 109.218 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 7' ' ' PHE . 10.9 m -79.45 -41.87 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.889 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -70.11 -22.72 62.99 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.027 -1.046 . . . . 0.0 109.996 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 18.5 tt0 -76.24 -48.77 19.08 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.358 -0.838 . . . . 0.0 110.29 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.554 ' CG ' ' N ' ' A' ' 15' ' ' LEU . 10.5 pttm -64.59 -45.39 87.18 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.796 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 19.2 mt -67.82 -26.04 65.87 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.406 -0.809 . . . . 0.0 109.183 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -65.46 -47.28 76.67 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.332 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -65.04 -48.96 72.01 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.395 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.68 -74.29 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.766 -0.584 . . . . 0.0 110.15 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 2.0 p90 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 120.986 -1.071 . . . . 0.0 110.576 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.504 ' O ' HG23 ' A' ' 11' ' ' VAL . 4.8 t80 -66.54 -23.21 66.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 119.984 -1.697 . . . . 0.0 110.057 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -31.36 45.75 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.153 -0.967 . . . . 0.0 109.66 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -70.59 -52.0 24.52 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.405 -0.809 . . . . 0.0 109.331 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 6' ' ' ALA . 24.7 mtmt -63.89 -25.68 68.26 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.0 t -70.04 -41.77 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.78 -22.24 60.87 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.492 -0.755 . . . . 0.0 109.317 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -72.39 -36.99 68.82 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.664 -0.647 . . . . 0.0 109.642 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 19.1 mtpt -78.41 -38.58 41.2 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.5 -0.75 . . . . 0.0 110.268 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD23 ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -69.42 -28.1 65.85 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.157 -0.964 . . . . 0.0 108.895 179.034 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 19' ' ' PHE . 1.8 tttt -69.5 -48.65 59.92 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -48.21 82.48 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.17 -75.48 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.779 -0.576 . . . . 0.0 110.728 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.542 ' CE2' HD23 ' A' ' 15' ' ' LEU . 24.5 p90 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 120.853 -1.155 . . . . 0.0 110.666 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 110.58 -0.155 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.561 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 2.7 t80 -73.36 -22.46 60.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.185 -1.572 . . . . 0.0 110.328 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.536 ' O ' HG12 ' A' ' 11' ' ' VAL . 17.6 t80 -78.7 -43.16 26.56 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.135 -0.978 . . . . 0.0 110.404 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 9.8 t70 -69.75 -38.12 76.69 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.217 -0.927 . . . . 0.0 110.326 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 6' ' ' ALA . 26.8 mmtt -70.83 -28.62 64.74 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.205 -0.934 . . . . 0.0 109.237 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.561 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -70.41 -43.55 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 119.332 -0.947 . . . . 0.0 108.683 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.459 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -72.52 -20.72 61.3 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 121.696 0.76 . . . . 0.0 109.124 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -67.67 -40.55 84.44 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.557 0.694 . . . . 0.0 109.156 179.521 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -48.54 63.18 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.136 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.549 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 6.9 mp -70.29 -21.61 62.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.03 -1.043 . . . . 0.0 109.423 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 5.5 tttt -67.76 -48.6 65.94 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -67.86 -52.93 30.98 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.533 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.54 -61.04 0.48 Allowed 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.838 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 12.6 m-30 . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.283 -0.885 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 14.3 t80 -65.84 -35.54 80.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.263 -1.523 . . . . 0.0 110.269 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.507 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -66.97 -32.85 74.37 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.12 -0.987 . . . . 0.0 110.01 179.663 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.38 -45.99 57.29 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.094 -1.004 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -66.73 -28.71 68.64 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.184 -0.947 . . . . 0.0 109.125 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -79.03 -38.26 20.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.622 179.604 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.2 63.28 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.242 -0.911 . . . . 0.0 109.425 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.4 -43.93 59.48 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.424 -0.798 . . . . 0.0 109.006 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -66.24 -38.53 88.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.397 -0.814 . . . . 0.0 109.717 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.624 HD12 ' CE1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -70.97 -28.08 64.2 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.08 -1.012 . . . . 0.0 108.902 178.811 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.1 ttmm -66.77 -43.0 85.17 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.5 tm-20 -65.91 -58.0 6.57 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.21 -60.49 0.56 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 122.004 -0.435 . . . . 0.0 110.852 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.624 ' CE1' HD12 ' A' ' 15' ' ' LEU . 10.1 m-85 . . . . . 0 N--CA 1.498 1.962 0 O-C-N 121.218 -0.926 . . . . 0.0 110.653 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 4.8 t80 -66.23 -45.37 80.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.288 -1.508 . . . . 0.0 110.211 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.532 ' O ' HG12 ' A' ' 11' ' ' VAL . 7.5 t80 -51.32 -37.52 48.16 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.926 -1.109 . . . . 0.0 109.493 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -76.08 -30.36 58.3 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.145 -0.972 . . . . 0.0 110.111 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -30.15 67.81 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.331 -0.856 . . . . 0.0 109.548 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.562 ' CG1' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -80.27 -49.78 18.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.775 -179.762 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.815 ' HA ' HD21 ' A' ' 15' ' ' LEU . . . -55.73 -34.39 65.12 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.906 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.9 -29.74 62.23 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.429 -0.794 . . . . 0.0 109.234 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -68.39 -66.26 0.59 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.494 -0.754 . . . . 0.0 109.996 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.815 HD21 ' HA ' ' A' ' 12' ' ' ALA . 1.3 pp -50.28 -34.29 22.87 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.73 -35.81 75.31 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.683 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 18' ' ' ALA . 8.3 tt0 -74.45 -63.76 1.17 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -31.8 -64.34 0.16 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 120.808 0.337 . . . . 0.0 110.83 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 15' ' ' LEU . 32.2 p90 . . . . . 0 N--CA 1.484 1.23 0 O-C-N 121.005 -1.059 . . . . 0.0 110.061 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.872 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.697 ' O ' HG13 ' A' ' 11' ' ' VAL . 17.1 t80 -66.46 -33.88 76.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.377 -1.452 . . . . 0.0 109.438 179.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.505 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -68.42 -25.94 65.28 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.248 -0.908 . . . . 0.0 108.995 178.82 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -39.74 33.11 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.427 -0.796 . . . . 0.0 110.457 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -70.12 -28.14 65.15 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.214 -0.929 . . . . 0.0 109.442 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 7' ' ' PHE . 27.3 m -81.16 -46.55 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.665 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.563 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -67.36 -21.32 65.63 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.48 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -49.54 19.44 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 121.51 0.672 . . . . 0.0 109.434 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -31.87 72.82 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.431 -0.793 . . . . 0.0 109.666 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.584 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 50.3 mt -77.13 -25.78 52.47 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.422 -0.799 . . . . 0.0 109.198 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -68.49 -49.54 58.99 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -46.18 82.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.0 -76.11 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.729 -0.607 . . . . 0.0 110.219 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 16.7 p90 . . . . . 0 N--CA 1.487 1.381 0 O-C-N 120.985 -1.072 . . . . 0.0 110.506 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.478 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 61.7 t80 -59.95 -18.92 49.01 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.271 -1.518 . . . . 0.0 108.764 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.486 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -69.61 -45.9 67.49 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.847 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -56.56 -53.37 58.31 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.437 -0.79 . . . . 0.0 109.145 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -65.59 -20.65 66.4 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.289 -0.882 . . . . 0.0 108.799 178.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -63.84 -46.39 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.504 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -63.2 -30.14 71.35 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -67.21 -25.58 66.18 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 11' ' ' VAL . 16.1 mttt -71.1 -58.41 3.58 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.697 -0.627 . . . . 0.0 109.793 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.574 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 2.4 mp -60.7 -28.5 68.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.024 -1.048 . . . . 0.0 108.425 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -61.62 -42.9 99.54 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.348 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' O ' ' C ' ' A' ' 18' ' ' ALA . 6.4 tt0 -72.76 -61.91 1.64 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.76 -54.18 0.11 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 122.123 -0.36 . . . . 0.0 111.719 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 12.6 m-85 . . . . . 0 N--CA 1.498 1.969 0 O-C-N 120.989 -1.07 . . . . 0.0 110.431 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.524 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 45.8 t80 -66.21 -27.02 67.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 119.93 -1.731 . . . . 0.0 110.393 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.53 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -65.11 -44.35 89.05 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.25 -0.906 . . . . 0.0 109.687 179.53 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -62.16 -47.26 85.29 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -67.99 -21.82 65.04 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.216 -0.927 . . . . 0.0 109.589 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -71.18 -44.59 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.3 -0.875 . . . . 0.0 109.265 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -69.79 -22.75 63.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.596 -0.69 . . . . 0.0 109.892 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -72.53 -40.7 66.57 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.325 -0.859 . . . . 0.0 109.228 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.26 -20.05 52.45 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.509 -0.744 . . . . 0.0 109.903 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.2 mp -79.33 -31.11 43.03 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.187 -0.946 . . . . 0.0 108.524 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -65.49 -47.38 76.21 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -42.31 92.94 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -44.84 -74.6 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.876 -0.515 . . . . 0.0 110.734 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 N--CA 1.487 1.39 0 O-C-N 120.789 -1.194 . . . . 0.0 110.796 -179.661 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.517 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 25.6 t80 -70.58 -22.79 62.53 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.263 -1.523 . . . . 0.0 110.44 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.618 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.03 -64.27 0.94 Allowed 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.035 -1.041 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -54.59 -28.57 47.24 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.016 -1.052 . . . . 0.0 109.309 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -29.8 61.64 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -76.69 -37.94 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 109.888 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -72.18 -26.28 62.01 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.336 -0.853 . . . . 0.0 109.302 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.75 -30.94 51.78 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.475 -0.766 . . . . 0.0 109.961 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -76.65 -48.55 18.69 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.165 -0.959 . . . . 0.0 109.91 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 2.3 mm? -70.38 -24.69 62.99 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.284 -0.885 . . . . 0.0 109.336 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 16.4 ttmt -71.62 -50.82 27.15 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.487 -0.758 . . . . 0.0 109.037 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -44.28 95.62 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.13 -75.56 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.097 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 16' ' ' LYS . 19.2 p90 . . . . . 0 N--CA 1.486 1.369 0 O-C-N 120.848 -1.158 . . . . 0.0 110.563 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 110.853 -0.054 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' O ' HG22 ' A' ' 11' ' ' VAL . 5.2 t80 -72.08 -40.91 67.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.056 -1.653 . . . . 0.0 109.69 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.482 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -59.27 -19.09 43.07 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.243 -0.911 . . . . 0.0 109.262 178.834 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.79 -45.33 13.44 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.459 -0.776 . . . . 0.0 111.229 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -32.47 74.03 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.96 -1.088 . . . . 0.0 108.817 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.565 HG23 ' N ' ' A' ' 12' ' ' ALA . 34.0 m -75.88 -44.77 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.488 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.565 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -62.04 -23.83 66.7 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.311 -0.868 . . . . 0.0 109.514 179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.99 -47.12 63.46 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -66.25 -24.95 66.67 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.155 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -77.02 -30.24 55.71 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -63.83 -41.97 97.74 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.9 tt0 -70.37 -59.15 3.03 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.31 -57.51 0.49 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.934 -0.479 . . . . 0.0 111.382 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 8.1 m-30 . . . . . 0 N--CA 1.498 1.927 0 O-C-N 121.144 -0.972 . . . . 0.0 110.733 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.63 ' O ' HG13 ' A' ' 11' ' ' VAL . 55.0 t80 -68.06 -20.94 65.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.336 -1.478 . . . . 0.0 109.966 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.536 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.5 t80 -73.06 -35.05 66.62 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.234 -0.916 . . . . 0.0 109.455 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 28.4 t70 -77.7 -34.63 52.74 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.342 -0.849 . . . . 0.0 109.627 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -68.08 -29.82 68.86 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.269 -0.895 . . . . 0.0 109.304 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 7' ' ' PHE . 27.2 m -81.08 -43.38 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 119.566 -0.854 . . . . 0.0 110.724 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.455 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -68.5 -25.4 64.94 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.12 -0.987 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -82.38 -37.29 25.82 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.236 -0.915 . . . . 0.0 110.612 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -33.42 66.68 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.986 -1.071 . . . . 0.0 110.098 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.587 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.4 mm? -82.65 -25.17 33.34 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.222 -0.924 . . . . 0.0 108.787 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -66.52 -49.93 64.87 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.134 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.5 mm-40 -67.27 -44.92 78.13 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.19 -75.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.804 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 7.6 p90 . . . . . 0 N--CA 1.487 1.383 0 O-C-N 121.018 -1.051 . . . . 0.0 110.18 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.48 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 67.9 t80 -69.02 -21.76 64.11 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.281 -1.512 . . . . 0.0 109.882 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.65 ' O ' HG12 ' A' ' 11' ' ' VAL . 26.9 t80 -67.3 -68.32 0.39 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.379 -0.825 . . . . 0.0 109.781 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.01 -30.88 62.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.158 -0.964 . . . . 0.0 109.736 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -29.41 67.24 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.342 -0.848 . . . . 0.0 109.47 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.897 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -76.87 -37.39 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.336 -0.853 . . . . 0.0 109.812 179.83 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' LYS . . . -73.68 -23.29 59.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.426 -0.796 . . . . 0.0 109.587 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -44.9 48.37 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.513 -0.742 . . . . 0.0 109.535 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -72.2 -30.41 64.92 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.369 -0.832 . . . . 0.0 109.881 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.897 HD13 ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -76.23 -26.2 55.83 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.309 -0.869 . . . . 0.0 109.271 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 1.3 mmtt -67.86 -48.14 66.97 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.26 -48.01 77.37 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.62 -77.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.729 -0.607 . . . . 0.0 110.166 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 12.9 p90 . . . . . 0 N--CA 1.488 1.43 0 O-C-N 121.003 -1.06 . . . . 0.0 110.436 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.488 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 11.2 t80 -66.12 -19.5 65.86 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.363 -1.461 . . . . 0.0 109.049 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.54 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.63 -50.87 32.36 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.627 -0.67 . . . . 0.0 109.429 179.219 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -61.05 -40.29 93.07 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.276 -0.89 . . . . 0.0 109.363 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -67.85 -27.1 66.4 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.417 -0.802 . . . . 0.0 109.377 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -71.69 -42.25 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.879 . . . . 0.0 109.176 179.459 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -73.55 -20.74 60.56 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.566 -0.709 . . . . 0.0 110.014 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.81 -43.68 58.07 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.519 -0.738 . . . . 0.0 109.85 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -71.45 -40.81 70.11 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.526 -0.734 . . . . 0.0 109.684 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.0 mm? -70.66 -25.31 62.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.297 -0.877 . . . . 0.0 109.016 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -68.58 -47.67 66.19 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.748 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -58.35 -51.17 70.94 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -41.19 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.027 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 20.1 p90 . . . . . 0 N--CA 1.486 1.365 0 O-C-N 120.818 -1.176 . . . . 0.0 110.609 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.438 ' HB1' ' HE3' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.46 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 27.4 t80 -66.44 -19.36 65.77 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.18 -1.575 . . . . 0.0 109.669 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -67.31 0.61 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.495 -0.753 . . . . 0.0 110.129 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.28 -41.79 65.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.292 -0.88 . . . . 0.0 110.165 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HE3' ' HB1' ' A' ' 6' ' ' ALA . 1.2 mtmt -62.58 -30.96 71.71 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.206 -0.934 . . . . 0.0 108.739 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -70.79 -36.56 65.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.294 179.523 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -69.98 -27.29 64.59 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.424 -0.797 . . . . 0.0 109.547 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.44 -35.72 68.37 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.379 -0.826 . . . . 0.0 109.903 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 10.9 tttm -76.85 -37.75 55.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.498 -0.751 . . . . 0.0 110.947 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 11' ' ' VAL . 4.9 mp -75.77 -24.37 56.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.976 -1.078 . . . . 0.0 110.34 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -73.06 -54.92 7.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.454 -0.898 . . . . 0.0 108.648 179.46 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.75 -39.31 84.33 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 14' ' ' LYS . . . -51.04 -79.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.869 -0.519 . . . . 0.0 110.056 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 8.0 p90 . . . . . 0 N--CA 1.487 1.398 0 O-C-N 121.001 -1.062 . . . . 0.0 110.642 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.428 0.156 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.6 OUTLIER -70.73 -30.36 66.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.525 -1.359 . . . . 0.0 110.287 -179.792 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.523 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -68.15 -52.18 37.5 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.088 -1.007 . . . . 0.0 110.168 179.826 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -34.79 79.27 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.252 -0.905 . . . . 0.0 110.728 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 2.3 tppm? -73.98 -26.09 60.27 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.177 -0.952 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -75.3 -43.38 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 109.443 179.798 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -67.11 -24.55 65.94 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.157 179.147 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -37.6 68.35 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.586 -0.696 . . . . 0.0 109.718 179.478 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -76.53 -33.69 58.57 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.36 -0.837 . . . . 0.0 110.692 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.524 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.9 mp -74.85 -28.09 60.53 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.129 -0.982 . . . . 0.0 109.339 179.385 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -71.45 -46.51 59.79 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.66 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.23 -48.28 76.43 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.04 -71.18 0.08 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.76 -0.587 . . . . 0.0 110.879 179.245 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 20.2 p90 . . . . . 0 N--CA 1.488 1.439 0 O-C-N 120.741 -1.224 . . . . 0.0 110.665 -179.396 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.426 ' O ' ' HD3' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 11' ' ' VAL . 79.9 t80 -66.19 -14.88 62.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.204 -1.56 . . . . 0.0 109.491 179.504 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 1.7 t80 -77.67 -65.3 0.98 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.53 -0.732 . . . . 0.0 109.826 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -52.48 -38.9 60.47 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.657 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -66.38 -31.04 71.56 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.674 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.6 t -72.96 -36.53 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.156 179.286 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.35 62.54 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.471 -0.768 . . . . 0.0 109.128 178.823 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -76.1 -30.5 58.3 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -80.17 -28.87 38.7 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.525 -0.734 . . . . 0.0 109.189 179.073 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.583 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 5.9 mp -78.87 -28.51 44.19 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.394 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 9.7 tptp -71.74 -47.19 55.48 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -59.97 -57.17 14.03 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.115 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.52 -64.43 0.43 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.83 -0.544 . . . . 0.0 110.71 178.702 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 . . . . . 0 N--CA 1.5 2.068 0 O-C-N 121.336 -0.852 . . . . 0.0 110.826 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.793 -0.077 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 11' ' ' VAL . 6.2 t80 -70.84 -23.53 62.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.285 -1.509 . . . . 0.0 111.275 -179.505 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -49.52 18.17 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.94 -1.1 . . . . 0.0 109.788 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -37.0 86.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.404 -0.81 . . . . 0.0 109.942 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -66.05 -33.38 75.65 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.003 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.633 HG21 ' CE1' ' A' ' 7' ' ' PHE . 2.1 t -77.27 -30.36 17.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.338 179.3 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -74.04 -25.15 59.7 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.394 -0.816 . . . . 0.0 109.586 179.144 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.77 -44.28 56.52 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.577 -0.702 . . . . 0.0 109.175 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -69.82 -34.08 73.19 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.364 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 3.2 mm? -74.5 -28.38 60.98 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.547 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -70.28 -51.04 33.45 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.016 179.871 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ALA . 25.9 mm-40 -60.16 -53.05 62.31 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.091 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.06 -64.45 0.41 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.921 -0.487 . . . . 0.0 110.817 178.826 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 . . . . . 0 N--CA 1.502 2.13 0 O-C-N 121.392 -0.818 . . . . 0.0 111.08 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 13.8 t80 -60.64 -29.41 69.24 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.053 -1.654 . . . . 0.0 109.066 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.703 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.3 t80 -68.67 -34.68 76.11 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 5.4 t70 -62.57 -59.99 4.15 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.481 -0.762 . . . . 0.0 109.883 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -30.33 62.05 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.843 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -61.76 -35.68 69.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.49 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 9' ' ' ASP . . . -68.11 -27.45 66.48 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.797 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -37.01 86.23 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.322 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -47.81 62.04 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.394 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.6 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 25.0 mt -68.15 -25.09 65.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.044 -1.035 . . . . 0.0 109.365 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 19' ' ' PHE . 6.3 tptp -69.11 -46.42 67.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.695 0.759 . . . . 0.0 109.051 179.347 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -50.51 71.07 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.446 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.3 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.207 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 3.9 p90 . . . . . 0 N--CA 1.488 1.439 0 O-C-N 120.914 -1.116 . . . . 0.0 110.691 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.715 ' CD1' HG23 ' A' ' 11' ' ' VAL . 1.2 t80 -66.53 -28.71 68.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.557 -1.339 . . . . 0.0 109.87 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -68.6 -38.26 80.49 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.453 -0.779 . . . . 0.0 109.597 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.19 -56.27 15.9 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.472 -0.768 . . . . 0.0 110.485 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -66.12 -22.4 66.39 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.14 -0.975 . . . . 0.0 109.264 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.715 HG23 ' CD1' ' A' ' 7' ' ' PHE . 2.7 t -76.12 -38.53 34.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.381 179.504 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.53 -23.42 61.0 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.488 -0.758 . . . . 0.0 109.258 178.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.4 -43.83 59.69 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.522 -0.736 . . . . 0.0 109.563 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -68.86 -39.06 80.09 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.385 -0.822 . . . . 0.0 109.531 179.274 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 3.0 mp -66.19 -29.68 70.0 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 30.0 tttm -62.22 -43.65 98.35 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.814 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' ALA . 30.6 mt-10 -65.96 -56.84 9.62 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.557 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -37.35 -71.94 0.07 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.131 0.491 . . . . 0.0 110.333 179.099 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 2.3 p90 . . . . . 0 N--CA 1.486 1.349 0 O-C-N 121.007 -1.058 . . . . 0.0 110.073 179.764 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.34 0.114 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.54 -10.93 59.89 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.288 -1.508 . . . . 0.0 110.076 -179.481 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -74.6 -58.04 3.54 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.295 -0.878 . . . . 0.0 109.035 179.295 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.65 -35.49 76.34 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.366 -0.834 . . . . 0.0 109.18 178.905 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.47 -33.18 74.34 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.659 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.39 -37.17 74.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.879 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.38 -24.33 64.77 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.464 -0.772 . . . . 0.0 110.058 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.444 ' OE2' ' HE3' ' A' ' 16' ' ' LYS . 22.2 mm-40 -72.82 -43.08 63.14 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.333 -0.854 . . . . 0.0 109.55 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -38.9 81.58 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.258 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.53 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 9.2 mp -76.36 -21.8 55.65 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.226 -0.921 . . . . 0.0 109.295 179.334 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HE3' ' OE2' ' A' ' 13' ' ' GLU . 9.8 ttpp -65.45 -46.52 79.55 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.048 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 mt-10 -71.79 -53.68 12.58 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.309 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -33.7 -58.39 0.42 Allowed 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.179 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 9.4 m-30 . . . . . 0 N--CA 1.497 1.896 0 O-C-N 121.365 -0.834 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 8.9 t80 -70.48 -26.38 63.59 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.321 -1.487 . . . . 0.0 110.102 179.737 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.636 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -67.17 -67.46 0.45 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.309 -0.869 . . . . 0.0 109.91 179.672 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -57.22 -30.84 64.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.18 -0.95 . . . . 0.0 109.883 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -69.33 -29.41 67.23 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.365 -0.834 . . . . 0.0 109.362 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.894 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -76.64 -38.34 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.398 -0.814 . . . . 0.0 109.653 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.402 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -72.02 -23.92 61.47 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.347 -0.845 . . . . 0.0 109.598 179.266 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -74.49 -43.55 55.5 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.428 -0.795 . . . . 0.0 109.481 179.695 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -44.34 81.48 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.396 -0.815 . . . . 0.0 109.846 179.681 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 ' O ' ' A' ' 11' ' ' VAL . 5.1 mt -70.01 -24.26 63.26 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.196 -0.94 . . . . 0.0 109.36 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 15.8 tttt -66.51 -47.39 73.1 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.284 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.2 mm-40 -66.31 -56.94 8.73 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.427 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.64 -60.84 0.42 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 122.057 -0.402 . . . . 0.0 111.188 179.094 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 11.2 m-30 . . . . . 0 N--CA 1.498 1.937 0 O-C-N 121.249 -0.907 . . . . 0.0 110.871 -179.689 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.408 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 7.4 t80 -73.41 -13.99 61.18 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 120.338 -1.476 . . . . 0.0 109.619 179.655 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.628 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.75 -61.23 1.86 Allowed 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.523 -0.735 . . . . 0.0 109.383 179.515 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.11 -30.55 70.43 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.129 -0.982 . . . . 0.0 109.907 179.609 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -31.37 69.63 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.252 -0.905 . . . . 0.0 109.268 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -72.74 -37.46 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.344 -0.847 . . . . 0.0 109.036 179.29 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -71.11 -21.22 62.24 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 121.685 0.755 . . . . 0.0 109.396 179.28 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.93 -49.28 30.4 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.442 -0.786 . . . . 0.0 109.499 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -65.67 -41.48 92.44 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.805 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.581 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -66.13 -28.15 68.58 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.195 -0.941 . . . . 0.0 109.0 178.985 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.613 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -66.45 -45.01 81.21 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.288 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' ALA . 71.2 mm-40 -63.31 -57.83 9.11 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.616 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.11 -60.04 0.58 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.08 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 5.3 m-30 . . . . . 0 N--CA 1.5 2.052 0 O-C-N 121.13 -0.981 . . . . 0.0 110.69 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.797 ' O ' HG13 ' A' ' 11' ' ' VAL . 71.1 t80 -70.56 -23.35 62.59 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.366 -1.459 . . . . 0.0 110.144 179.805 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.534 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.4 t80 -73.64 -36.02 65.36 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.286 -0.883 . . . . 0.0 110.192 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 28.0 t0 -77.79 -33.99 52.37 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.082 -1.011 . . . . 0.0 109.757 179.423 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -29.82 66.67 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.267 -0.896 . . . . 0.0 109.651 179.277 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 7' ' ' PHE . 34.6 m -79.71 -43.04 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.337 -0.852 . . . . 0.0 110.064 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.489 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -68.92 -23.35 64.16 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.172 -0.955 . . . . 0.0 109.921 179.585 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 6.5 mm-40 -76.35 -46.69 26.35 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.362 -0.836 . . . . 0.0 110.022 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -66.54 -38.77 87.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.832 . . . . 0.0 110.135 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 3.8 mm? -75.87 -23.4 55.64 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.213 -0.929 . . . . 0.0 109.331 179.25 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -67.65 -46.95 70.95 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.072 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -67.36 -49.51 63.66 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.421 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.67 -73.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.816 -0.553 . . . . 0.0 110.194 178.93 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 4.6 p90 . . . . . 0 N--CA 1.487 1.38 0 O-C-N 121.053 -1.03 . . . . 0.0 110.245 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -70.56 -20.78 62.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.413 -1.43 . . . . 0.0 110.492 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.653 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.8 t80 -67.9 -56.91 7.29 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.114 -0.991 . . . . 0.0 108.972 179.341 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 10.5 m-20 -66.14 -24.43 66.67 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.249 -0.907 . . . . 0.0 109.269 179.006 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -64.92 -38.08 89.79 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.653 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -71.38 -36.94 63.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.867 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.57 -21.51 65.43 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.544 0.688 . . . . 0.0 109.537 179.312 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -50.3 25.14 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.449 -0.782 . . . . 0.0 109.215 179.468 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -70.58 -23.08 62.53 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.727 -0.789 . . . . 0.0 109.737 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.572 ' HG ' ' CE1' ' A' ' 19' ' ' PHE . 10.5 tp -79.72 -26.97 40.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.346 -0.846 . . . . 0.0 108.76 178.722 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.579 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.2 ttpt -68.5 -50.98 48.16 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.662 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . 8.5 tp10 -52.25 -58.01 7.94 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.828 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.74 -62.73 0.46 Allowed 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.77 178.597 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 11.1 m-30 . . . . . 0 N--CA 1.497 1.906 0 O-C-N 121.311 -0.868 . . . . 0.0 110.992 -179.757 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -67.31 -19.02 65.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.331 -1.481 . . . . 0.0 110.276 179.761 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.512 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -72.34 -61.13 1.9 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.103 -0.998 . . . . 0.0 110.155 179.78 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 2.7 p30 -62.53 -30.69 71.48 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.0 -1.063 . . . . 0.0 110.637 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 26.8 tttt -66.51 -33.37 75.53 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.115 -0.991 . . . . 0.0 109.027 179.414 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -74.04 -44.27 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.668 179.65 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.494 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -67.05 -23.09 65.85 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.6 -0.687 . . . . 0.0 109.901 179.666 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.546 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 13.4 tt0 -72.66 -44.84 61.32 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.386 -0.821 . . . . 0.0 110.077 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -72.23 -38.37 68.95 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.21 -0.931 . . . . 0.0 111.34 -179.181 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -27.91 62.72 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.874 -1.141 . . . . 0.0 109.963 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -72.5 -32.01 65.82 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.438 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -74.89 -47.72 28.58 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.57 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -42.08 -71.65 0.08 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.781 -0.574 . . . . 0.0 110.003 178.267 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 N--CA 1.488 1.465 0 O-C-N 120.814 -1.179 . . . . 0.0 110.547 179.744 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.476 0.825 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 26.1 t80 -71.06 -26.21 62.97 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.332 -1.48 . . . . 0.0 110.102 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.646 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -67.57 -52.41 38.94 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.278 -0.889 . . . . 0.0 109.989 179.853 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -66.03 -35.34 80.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.074 -1.016 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -68.37 -28.88 67.51 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.289 -0.882 . . . . 0.0 109.551 179.618 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -76.99 -37.29 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.704 179.776 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -73.07 -23.0 60.5 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.483 -0.761 . . . . 0.0 109.681 179.211 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -73.57 -46.76 45.42 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.39 -0.819 . . . . 0.0 109.133 179.424 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -30.65 68.5 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.647 179.34 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.4 mt -75.54 -26.0 57.66 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.354 -0.841 . . . . 0.0 109.247 179.127 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.02 -46.14 78.94 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.102 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' ALA . 68.7 mt-10 -66.52 -56.32 11.38 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.322 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.11 -60.04 0.48 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.993 -0.442 . . . . 0.0 111.075 179.099 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 10.3 m-30 . . . . . 0 N--CA 1.499 2.005 0 O-C-N 121.304 -0.872 . . . . 0.0 110.924 -179.701 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.584 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 1.8 t80 -70.28 -36.29 74.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.091 -1.631 . . . . 0.0 110.725 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.45 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -62.26 -57.07 12.75 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 109.746 179.833 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 5.7 t0 -54.88 -40.39 69.7 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.471 -0.768 . . . . 0.0 110.789 -179.369 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -69.84 -27.98 65.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.01 -1.056 . . . . 0.0 109.458 179.657 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -73.99 -44.23 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.366 -0.834 . . . . 0.0 109.267 179.74 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.443 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -71.72 -18.1 62.17 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.744 0.783 . . . . 0.0 109.615 179.347 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 19.2 tt0 -73.52 -46.5 47.39 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.665 -0.647 . . . . 0.0 109.674 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -36.77 68.24 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.24 -0.912 . . . . 0.0 110.333 179.838 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 24.7 mt -74.63 -22.92 58.67 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.027 -1.046 . . . . 0.0 109.54 179.533 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' A' ' 16' ' ' LYS . 1.6 tppp? -68.84 -45.22 71.68 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.047 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.48 -46.66 63.32 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.217 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.8 -73.85 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.633 -0.667 . . . . 0.0 110.426 178.846 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 2.3 p90 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.047 -1.033 . . . . 0.0 110.381 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.503 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 37.2 t80 -71.4 -26.64 62.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.38 -1.45 . . . . 0.0 110.416 179.755 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.503 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.58 -49.18 56.57 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.201 -0.937 . . . . 0.0 108.945 179.41 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -53.57 -49.79 66.96 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.321 178.888 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -68.04 -22.62 64.95 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.368 -0.832 . . . . 0.0 109.382 179.161 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.503 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -66.23 -44.26 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.236 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.464 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -69.23 -23.62 63.9 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.452 0.644 . . . . 0.0 109.353 179.051 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.58 -39.22 81.07 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.013 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -33.44 64.52 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.592 -0.692 . . . . 0.0 109.22 179.023 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.748 HD12 ' HE2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -71.85 -27.12 62.68 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.822 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 17.8 tptm -69.23 -52.54 26.75 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.885 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -56.48 -40.25 74.6 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.836 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -48.4 -78.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.81 178.573 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.748 ' HE2' HD12 ' A' ' 15' ' ' LEU . 33.0 p90 . . . . . 0 N--CA 1.487 1.376 0 O-C-N 121.071 -1.018 . . . . 0.0 110.408 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.508 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 9.9 t80 -69.34 -26.94 64.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.417 -1.427 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.613 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -70.01 -49.59 49.97 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.106 -0.997 . . . . 0.0 109.855 179.525 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -64.58 -37.23 86.84 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.178 -0.952 . . . . 0.0 110.123 179.814 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -26.43 63.88 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.347 -0.846 . . . . 0.0 109.484 179.843 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -75.84 -40.32 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.272 -0.892 . . . . 0.0 109.79 179.677 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.403 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -76.13 -21.25 56.82 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.266 -0.896 . . . . 0.0 109.638 179.344 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.82 -38.02 62.17 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.548 -0.72 . . . . 0.0 109.861 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -74.06 -41.52 61.62 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.323 -0.861 . . . . 0.0 109.979 179.708 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 10.1 mp -72.37 -24.79 61.32 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.119 -0.988 . . . . 0.0 109.129 179.021 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.604 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 2.6 ttpt -69.98 -48.86 56.54 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.221 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -60.09 -53.78 53.69 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.363 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.42 -64.37 0.43 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.76 -0.587 . . . . 0.0 110.518 178.714 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.9 m-30 . . . . . 0 N--CA 1.499 2.006 0 O-C-N 121.358 -0.839 . . . . 0.0 110.664 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.835 ' O ' HG13 ' A' ' 11' ' ' VAL . 61.7 t80 -68.62 -27.82 66.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.25 -1.531 . . . . 0.0 109.874 179.738 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.499 ' C ' HG22 ' A' ' 11' ' ' VAL . 1.5 t80 -71.13 -30.74 66.87 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 179.803 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -80.13 -38.15 32.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.127 -0.983 . . . . 0.0 110.335 179.614 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -70.53 -28.14 64.7 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.183 -0.948 . . . . 0.0 109.468 179.618 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 7' ' ' PHE . 32.7 m -80.45 -46.12 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.347 -0.845 . . . . 0.0 109.835 179.759 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.56 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -66.94 -23.64 65.99 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.205 -0.935 . . . . 0.0 109.717 179.391 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -74.64 -46.11 40.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.41 -0.806 . . . . 0.0 109.598 179.736 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -45.85 88.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.363 -0.836 . . . . 0.0 109.998 179.83 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.577 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mm? -69.88 -24.31 63.39 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.088 -1.008 . . . . 0.0 109.294 179.339 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.56 -45.31 87.62 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.213 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -70.7 -57.26 4.87 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.469 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -33.05 -58.26 0.37 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.417 179.283 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 9.9 m-30 . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.337 -0.852 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.636 -0.135 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.464 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 74.8 t80 -69.58 -29.07 66.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.222 -1.549 . . . . 0.0 110.69 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -39.76 76.62 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.329 -0.857 . . . . 0.0 110.138 179.944 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.67 -42.42 74.19 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.429 -0.795 . . . . 0.0 110.404 -179.866 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -68.03 -27.88 66.91 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.197 179.402 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -76.6 -46.9 30.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.31 -0.868 . . . . 0.0 109.725 179.888 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -66.57 -24.06 66.3 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 109.91 179.487 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.565 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.48 -33.94 60.84 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.268 -0.895 . . . . 0.0 109.64 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.565 ' N ' ' HG3' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -71.84 -45.53 61.11 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.054 -1.029 . . . . 0.0 110.223 179.393 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.8 mt -71.96 -23.42 61.44 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.142 -0.974 . . . . 0.0 109.5 179.391 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 10.0 tttp -64.14 -45.46 88.38 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.272 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.4 mm-40 -73.08 -53.99 9.67 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.582 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.99 -57.83 0.37 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 122.134 -0.354 . . . . 0.0 111.368 179.245 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.493 ' HE1' HD22 ' A' ' 15' ' ' LEU . 8.8 m-30 . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.182 -0.949 . . . . 0.0 110.665 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.429 ' O ' HG22 ' A' ' 11' ' ' VAL . 11.7 t80 -57.52 -20.7 33.23 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.485 -1.384 . . . . 0.0 109.817 178.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.555 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.92 -37.76 76.03 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.706 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 4.4 t0 -75.04 -27.56 60.09 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.324 -0.86 . . . . 0.0 109.408 178.869 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -30.65 63.36 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.518 -0.739 . . . . 0.0 109.383 179.135 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 16.4 m -78.5 -42.04 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.459 179.515 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -69.83 -24.56 63.47 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.235 -0.916 . . . . 0.0 109.247 178.808 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 75.1 tt0 -74.72 -39.0 62.17 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.572 -0.705 . . . . 0.0 110.256 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' O ' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.37 -52.0 38.03 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.282 -0.886 . . . . 0.0 109.936 179.807 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -28.02 69.65 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.937 -1.102 . . . . 0.0 108.514 178.973 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -63.1 -42.42 99.58 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.567 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' ALA . 35.8 mt-10 -65.58 -57.45 8.15 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.204 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.17 -58.42 0.31 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.034 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.0 m-30 . . . . . 0 N--CA 1.496 1.839 0 O-C-N 121.101 -0.999 . . . . 0.0 110.545 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.477 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -59.63 -30.24 68.57 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.578 -1.326 . . . . 0.0 110.054 179.418 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -43.38 72.14 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.341 -0.849 . . . . 0.0 109.878 179.764 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -60.28 -53.57 56.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.271 -0.893 . . . . 0.0 110.283 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -22.19 65.83 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.33 -0.856 . . . . 0.0 109.591 179.797 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -69.93 -50.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 119.512 -0.875 . . . . 0.0 108.736 179.296 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -67.33 -23.56 65.63 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.63 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -66.96 -34.4 77.67 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.105 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -69.35 -45.89 68.3 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.535 179.265 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 5.8 mt -69.13 -25.15 64.24 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.158 -0.964 . . . . 0.0 109.316 179.303 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 12.4 tptt -67.39 -47.93 68.88 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.562 -0.711 . . . . 0.0 109.121 179.448 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.4 tt0 -64.85 -51.33 62.62 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.568 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.71 -70.06 0.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.317 178.748 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 13.5 p90 . . . . . 0 N--CA 1.486 1.359 0 O-C-N 120.96 -1.087 . . . . 0.0 110.325 179.678 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.409 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 11.1 t80 -65.14 -11.99 46.12 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.335 -1.478 . . . . 0.0 108.865 178.461 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.622 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.83 -38.25 67.2 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 178.82 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -70.16 -37.03 75.11 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.857 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -68.99 -29.13 67.27 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.884 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -77.33 -38.21 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.371 -0.83 . . . . 0.0 109.837 179.732 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.29 -23.52 61.19 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 179.078 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -74.02 -44.04 55.85 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.547 -0.721 . . . . 0.0 109.406 179.548 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -73.62 -28.27 61.72 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.428 -0.795 . . . . 0.0 110.018 179.729 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -76.92 -27.93 55.09 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.4 179.295 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -48.04 69.39 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.183 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.5 mm-40 -62.26 -52.64 62.9 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.957 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.96 -63.14 0.39 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.974 -0.454 . . . . 0.0 111.075 179.156 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CE1' HD12 ' A' ' 15' ' ' LEU . 6.2 m-30 . . . . . 0 N--CA 1.499 2.005 0 O-C-N 121.318 -0.864 . . . . 0.0 110.527 -179.685 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.502 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 37.8 t80 -69.15 -23.14 63.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.29 -1.506 . . . . 0.0 110.138 179.874 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.53 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -68.51 -47.63 66.48 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.273 -0.892 . . . . 0.0 110.197 179.805 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.77 -35.09 76.63 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.154 -0.966 . . . . 0.0 110.338 -179.894 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -26.27 62.13 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.145 -0.972 . . . . 0.0 109.859 179.753 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -77.75 -42.97 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.221 -0.924 . . . . 0.0 109.67 179.736 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.452 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -73.23 -21.84 60.56 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.299 -0.876 . . . . 0.0 109.239 178.998 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.71 -42.06 64.58 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.566 -0.709 . . . . 0.0 109.412 179.433 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -70.32 -39.74 74.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.485 -0.759 . . . . 0.0 109.973 179.716 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -70.32 -26.02 63.58 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.207 -0.933 . . . . 0.0 109.547 179.332 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -70.29 -51.51 29.86 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.697 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 28.1 mt-10 -58.24 -48.5 80.2 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.33 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.2 -77.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.796 -0.565 . . . . 0.0 110.21 178.882 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 41.6 p90 . . . . . 0 N--CA 1.486 1.338 0 O-C-N 121.095 -1.003 . . . . 0.0 110.356 -179.844 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.475 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 10.6 t80 -70.2 -26.61 63.96 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.215 -1.553 . . . . 0.0 109.758 179.715 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -37.78 74.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.333 -0.854 . . . . 0.0 109.494 179.385 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.98 -40.69 68.41 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.416 -0.802 . . . . 0.0 110.298 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -27.52 65.89 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.287 -0.883 . . . . 0.0 108.967 179.221 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -74.78 -49.24 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 O-C-N 121.364 -0.835 . . . . 0.0 108.901 179.382 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.515 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -63.22 -23.11 67.28 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.081 178.963 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -67.82 -46.61 71.37 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.796 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.13 -36.08 82.41 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.343 179.061 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.86 HD12 ' HE2' ' A' ' 19' ' ' PHE . 1.8 mm? -78.27 -21.22 50.14 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.523 -0.736 . . . . 0.0 109.406 179.317 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -68.75 -57.07 6.15 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.011 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.0 tt0 -60.96 -43.68 98.38 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.055 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -40.61 -73.33 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.102 178.75 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.86 ' HE2' HD12 ' A' ' 15' ' ' LEU . 1.1 p90 . . . . . 0 N--CA 1.487 1.389 0 O-C-N 120.903 -1.123 . . . . 0.0 110.275 179.824 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 11' ' ' VAL . 26.4 t80 -67.05 -24.56 65.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.309 -1.494 . . . . 0.0 109.917 179.737 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -62.57 1.46 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.318 -0.864 . . . . 0.0 110.554 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.81 -40.65 89.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 0.0 110.76 -179.496 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -68.05 -24.2 65.05 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.035 -1.041 . . . . 0.0 109.665 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.6 t -76.44 -41.06 35.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 O-C-N 121.405 -0.81 . . . . 0.0 109.715 179.695 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.34 -22.44 61.91 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.379 -0.825 . . . . 0.0 110.016 179.647 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -75.24 -48.98 20.8 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.342 -0.849 . . . . 0.0 109.444 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -31.58 71.78 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.494 -0.754 . . . . 0.0 109.627 179.521 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 4.9 mt -75.01 -27.36 60.09 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.377 -0.827 . . . . 0.0 108.994 179.033 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 50.5 tptt -64.7 -43.75 92.48 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.096 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.5 mt-10 -68.77 -57.18 5.99 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.412 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.8 -59.7 0.47 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.97 -0.456 . . . . 0.0 111.216 179.218 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 12.9 m-85 . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.182 -0.949 . . . . 0.0 110.716 -179.848 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -68.42 -21.56 64.66 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.184 -1.572 . . . . 0.0 110.157 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.732 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -70.14 -71.22 0.25 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.21 -0.931 . . . . 0.0 109.289 179.042 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -49.79 -32.49 14.09 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.074 -1.016 . . . . 0.0 108.7 178.713 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 20.7 mttm -66.06 -32.26 73.62 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.687 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.847 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -69.92 -34.11 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.194 179.562 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.1 -24.68 60.67 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.986 179.448 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -45.03 46.81 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 121.265 -0.897 . . . . 0.0 109.646 179.723 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -70.59 -35.12 72.85 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.313 -0.867 . . . . 0.0 109.938 179.672 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.847 HD13 ' O ' ' A' ' 11' ' ' VAL . 4.8 mp -68.69 -31.02 69.82 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.464 -0.773 . . . . 0.0 109.065 179.243 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 4.3 tptp -68.32 -46.3 70.61 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.182 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 tt0 -57.66 -63.05 1.37 Allowed 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.338 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.17 -59.79 0.42 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 122.059 -0.401 . . . . 0.0 111.116 179.22 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.9 m-30 . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.28 -0.887 . . . . 0.0 110.36 -179.981 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.494 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 51.8 t80 -57.88 -20.4 36.49 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.357 -1.464 . . . . 0.0 108.793 178.695 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.14 -51.44 53.9 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.548 0.69 . . . . 0.0 109.697 179.447 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -58.52 -52.16 66.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.869 . . . . 0.0 110.207 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 50.9 mttm -61.06 -26.41 67.62 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.214 -0.929 . . . . 0.0 108.676 179.395 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -66.6 -39.79 84.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.63 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.22 -23.79 64.85 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 120.075 -0.65 . . . . 0.0 109.667 179.204 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 1.8 mm-40 -68.02 -46.41 71.31 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.039 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 66.2 tttt -64.06 -38.26 90.41 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.001 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.568 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -76.9 -19.98 56.78 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.392 -0.818 . . . . 0.0 109.467 179.018 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -67.47 -48.9 65.81 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.501 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.551 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 13.7 pt-20 -72.33 -45.04 61.66 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.318 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 17' ' ' GLU . . . -40.34 -63.85 0.58 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.661 -0.649 . . . . 0.0 110.656 178.814 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 9.3 m-85 . . . . . 0 N--CA 1.501 2.098 0 O-C-N 121.619 -0.676 . . . . 0.0 111.128 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.578 ' CE2' ' CG2' ' A' ' 11' ' ' VAL . 61.1 t80 -70.85 -15.46 62.64 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.278 -1.514 . . . . 0.0 109.709 179.85 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.41 -59.53 2.93 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.545 -0.722 . . . . 0.0 109.857 179.829 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -57.69 -44.94 86.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.287 -0.883 . . . . 0.0 110.216 179.879 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -63.97 -26.79 68.74 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.202 -0.936 . . . . 0.0 109.142 179.582 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.578 ' CG2' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -70.89 -39.63 75.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.542 -0.724 . . . . 0.0 109.182 179.488 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -68.13 -24.35 65.0 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.528 -0.732 . . . . 0.0 110.215 179.951 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.415 ' OE1' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.2 -45.31 49.12 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.236 -0.915 . . . . 0.0 109.847 -179.984 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' CE ' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.43 -37.72 80.53 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.393 -0.817 . . . . 0.0 110.444 -179.778 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 15' ' ' LEU . 3.2 mm? -74.06 -25.59 59.92 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.127 -0.983 . . . . 0.0 109.17 179.129 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 2.2 ttmm -65.66 -44.19 87.08 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.272 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.1 tt0 -69.06 -53.29 21.18 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.358 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.89 -60.14 0.46 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 122.104 -0.372 . . . . 0.0 111.095 179.078 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.477 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.7 m-30 . . . . . 0 N--CA 1.498 1.97 0 O-C-N 121.252 -0.905 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.428 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 53.6 t80 -68.75 -19.98 64.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.198 -1.564 . . . . 0.0 110.258 179.752 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.796 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -69.43 -58.88 3.43 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.127 -0.983 . . . . 0.0 109.355 179.496 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 1.4 m-20 -54.14 -40.38 67.35 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.181 -0.949 . . . . 0.0 109.264 179.196 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -30.63 71.65 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.887 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -67.67 -34.64 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.408 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.56 61.32 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.746 0.784 . . . . 0.0 109.22 178.954 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.77 -38.88 67.17 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.527 -0.733 . . . . 0.0 109.615 179.393 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -77.51 -36.48 52.52 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.04 -179.525 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -76.0 -25.51 55.84 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.914 -1.116 . . . . 0.0 109.493 179.491 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -49.15 57.25 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.736 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' O ' ' OE2' ' A' ' 17' ' ' GLU . 5.7 tp10 -64.77 -47.0 79.76 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.012 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.49 -63.77 0.48 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.93 -0.481 . . . . 0.0 110.958 179.091 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.5 m-85 . . . . . 0 N--CA 1.502 2.141 0 O-C-N 121.178 -0.951 . . . . 0.0 110.895 -179.618 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.491 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 35.4 t80 -70.73 -21.61 62.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.293 -1.505 . . . . 0.0 109.984 179.689 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.636 ' O ' HG12 ' A' ' 11' ' ' VAL . 12.0 t80 -67.54 -61.46 1.89 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.295 -0.878 . . . . 0.0 109.933 179.727 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.37 -32.45 71.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.101 -1.0 . . . . 0.0 109.97 179.815 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -69.53 -28.68 66.23 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.325 -0.859 . . . . 0.0 109.582 179.545 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.705 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -77.46 -37.28 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.433 -0.792 . . . . 0.0 109.85 179.855 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -73.84 -23.01 59.57 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.372 -0.83 . . . . 0.0 109.787 179.584 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -75.81 -46.51 30.19 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.421 -0.799 . . . . 0.0 109.747 179.885 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -70.33 -34.67 72.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.371 -0.83 . . . . 0.0 109.885 179.731 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.705 HD13 ' O ' ' A' ' 11' ' ' VAL . 6.9 mp -76.21 -23.79 54.63 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.307 -0.87 . . . . 0.0 109.593 179.42 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.6 tttt -68.25 -49.19 62.31 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.552 -0.906 . . . . 0.0 108.552 179.265 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.9 tt0 -65.53 -50.72 64.16 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.404 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.99 -73.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.723 -0.61 . . . . 0.0 110.254 178.991 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 40.1 p90 . . . . . 0 N--CA 1.486 1.335 0 O-C-N 120.948 -1.095 . . . . 0.0 110.387 -179.917 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CE1' HG23 ' A' ' 11' ' ' VAL . 20.6 t80 -60.74 -18.68 56.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.25 -1.531 . . . . 0.0 109.568 179.327 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.421 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 4.6 t80 -71.04 -61.18 1.86 Allowed 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.502 -0.749 . . . . 0.0 109.677 179.252 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 6.0 m-20 -54.31 -42.53 70.22 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.288 -0.883 . . . . 0.0 109.404 179.345 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 13' ' ' GLU . 46.9 mtpt -69.04 -23.98 64.13 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.485 -0.759 . . . . 0.0 109.478 179.224 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.523 HG23 ' CE1' ' A' ' 7' ' ' PHE . 1.1 t -66.91 -48.03 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.501 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.474 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -68.23 -25.76 65.36 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.224 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -67.79 -26.57 66.15 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.277 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -78.01 -41.9 34.29 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.637 -0.664 . . . . 0.0 109.418 179.139 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.583 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -58.92 -36.12 74.21 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.765 -1.21 . . . . 0.0 107.751 178.417 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -60.73 -45.03 95.84 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.621 0.724 . . . . 0.0 109.291 179.301 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.4 tt0 -70.98 -67.67 0.49 Allowed 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.06 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -22.15 -59.67 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 120.869 0.366 . . . . 0.0 111.665 178.906 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 8.9 p90 . . . . . 0 N--CA 1.487 1.414 0 O-C-N 120.759 -1.213 . . . . 0.0 110.539 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.502 ' CE1' ' CG2' ' A' ' 11' ' ' VAL . 12.1 t80 -66.57 -42.91 86.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.329 -1.482 . . . . 0.0 110.415 179.856 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -30.15 60.69 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.1 -1.0 . . . . 0.0 109.964 179.747 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -80.39 -42.9 21.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.28 -0.888 . . . . 0.0 111.682 -179.195 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -30.27 71.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.332 179.875 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.502 ' CG2' ' CE1' ' A' ' 7' ' ' PHE . 7.7 t -78.69 -46.85 24.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.505 -0.747 . . . . 0.0 109.797 179.79 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -62.48 -22.9 66.6 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.302 -0.874 . . . . 0.0 109.437 179.414 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.09 -46.87 55.1 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.543 -0.723 . . . . 0.0 109.085 179.301 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -45.95 91.47 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.265 179.619 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mp -63.99 -29.44 70.6 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.006 -1.059 . . . . 0.0 108.917 179.219 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 2.3 tttp -63.12 -41.49 99.34 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.952 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -67.33 -57.84 5.89 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.62 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.92 -65.72 0.21 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.955 179.535 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 2.8 p90 . . . . . 0 N--CA 1.487 1.407 0 O-C-N 120.726 -1.234 . . . . 0.0 110.58 179.886 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.78 ' O ' HG13 ' A' ' 11' ' ' VAL . 28.9 t80 -67.89 -18.42 64.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.407 -1.433 . . . . 0.0 110.42 179.932 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.468 ' HA ' ' CG2' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -78.54 -30.09 46.76 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.07 -1.019 . . . . 0.0 110.428 -179.861 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -81.41 -37.01 28.81 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.071 -1.018 . . . . 0.0 110.101 179.672 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.86 -29.04 65.05 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.291 -0.881 . . . . 0.0 109.589 179.423 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 7' ' ' PHE . 34.2 m -80.6 -47.33 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.362 -0.836 . . . . 0.0 110.004 179.667 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.575 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -66.0 -23.39 66.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.769 179.304 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.01 -45.69 40.13 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.519 -0.738 . . . . 0.0 109.521 179.652 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -68.78 -28.81 67.12 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.336 -0.853 . . . . 0.0 110.127 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -80.01 -26.82 39.67 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.353 -0.842 . . . . 0.0 109.148 179.072 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 12.3 mttt -62.16 -46.13 90.36 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.205 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' ALA . 28.5 mm-40 -71.33 -52.12 20.51 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.342 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.81 -59.06 0.35 Allowed 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.307 179.383 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 6.3 m-30 . . . . . 0 N--CA 1.501 2.106 0 O-C-N 121.303 -0.873 . . . . 0.0 110.561 -179.624 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.517 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 21.2 t80 -62.42 -24.14 67.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.055 -1.653 . . . . 0.0 109.363 179.178 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.601 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -72.51 -38.38 68.11 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.392 -0.818 . . . . 0.0 109.974 179.668 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 6.5 m-20 -72.77 -37.06 67.75 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.096 -1.002 . . . . 0.0 110.306 -179.927 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -25.09 58.03 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.139 -0.976 . . . . 0.0 109.568 179.405 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -77.76 -37.86 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.06 -1.025 . . . . 0.0 108.746 178.932 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.5 -25.21 61.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.286 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -33.65 66.54 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.336 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -70.04 -43.69 70.77 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.64 -0.663 . . . . 0.0 109.63 179.363 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 12.3 mt -69.26 -27.45 65.45 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.161 -0.962 . . . . 0.0 108.875 178.936 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.15 -44.84 82.98 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.403 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . 18.0 tt0 -66.41 -50.9 61.87 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.313 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.15 -70.12 0.11 Allowed 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.554 178.993 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.451 ' O ' ' O ' ' A' ' 16' ' ' LYS . 4.0 p90 . . . . . 0 N--CA 1.486 1.338 0 O-C-N 121.101 -1.0 . . . . 0.0 110.551 -179.832 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.709 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.648 ' CE1' HG21 ' A' ' 11' ' ' VAL . 32.4 t80 -59.39 -22.96 62.18 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.529 -1.357 . . . . 0.0 109.368 178.936 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -71.89 -36.64 70.11 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.54 -0.725 . . . . 0.0 109.928 179.724 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -51.16 22.58 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.358 -0.839 . . . . 0.0 110.024 179.732 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -30.74 66.15 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.965 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.648 HG21 ' CE1' ' A' ' 7' ' ' PHE . 2.1 t -71.49 -47.85 56.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 178.569 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' VAL . . . -43.18 -37.31 2.04 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.257 -0.902 . . . . 0.0 109.795 179.353 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 74.7 mt-10 -71.55 -41.91 68.52 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.288 -0.883 . . . . 0.0 109.424 179.119 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -66.79 -61.25 2.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.454 -0.779 . . . . 0.0 110.755 179.837 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.592 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 1.3 tp -56.92 -27.14 60.56 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.929 -1.107 . . . . 0.0 109.048 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 13.6 ttpt -62.61 -46.28 89.01 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.232 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -67.31 -62.28 1.5 Allowed 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 178.542 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -31.27 -58.27 0.24 Allowed 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.682 179.066 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 15.3 m-30 . . . . . 0 N--CA 1.497 1.919 0 O-C-N 121.309 -0.87 . . . . 0.0 110.9 -179.406 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.424 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 1.8 t80 -68.89 -22.33 64.19 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.298 -1.501 . . . . 0.0 109.244 179.454 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -43.44 78.83 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.526 -0.734 . . . . 0.0 109.114 179.08 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -62.04 -52.84 62.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.541 -0.724 . . . . 0.0 110.308 179.816 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -59.4 -29.37 67.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.971 -1.081 . . . . 0.0 108.367 179.16 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.2 t -64.92 -40.02 87.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.965 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.87 -20.47 61.1 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.698 0.761 . . . . 0.0 109.484 178.941 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -67.24 -42.58 83.76 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.37 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -72.5 -36.07 68.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.503 -0.748 . . . . 0.0 109.919 179.51 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD23 ' HE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -66.96 -30.15 70.2 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.169 -0.957 . . . . 0.0 108.861 178.823 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' PHE . 6.3 mttt -66.14 -42.18 89.42 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.446 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' ALA . 24.2 tp10 -65.48 -56.17 13.91 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.748 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.09 -69.79 0.11 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.937 -0.477 . . . . 0.0 110.522 179.166 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.472 ' O ' ' O ' ' A' ' 16' ' ' LYS . 2.9 p90 . . . . . 0 N--CA 1.485 1.302 0 O-C-N 120.803 -1.185 . . . . 0.0 110.465 -179.936 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 9.7 t80 -70.78 -28.58 64.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.487 -1.383 . . . . 0.0 110.647 -179.845 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.707 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -65.48 -66.17 0.58 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.305 -0.872 . . . . 0.0 110.208 179.821 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -52.58 -39.04 61.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 110.37 -179.736 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 3.1 mttp -66.37 -29.18 69.3 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.18 -0.95 . . . . 0.0 109.414 179.826 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -73.59 -34.58 42.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.799 179.745 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -72.67 -23.9 60.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 110.178 179.617 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -77.19 -47.94 18.95 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.232 -0.917 . . . . 0.0 110.212 -179.655 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -69.16 -37.81 78.42 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.36 -0.837 . . . . 0.0 110.289 -179.718 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.807 HD22 ' CE1' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -76.14 -24.72 54.89 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.236 -0.915 . . . . 0.0 109.383 179.224 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.9 tppp? -67.38 -45.69 75.5 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.115 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -65.84 -50.76 63.43 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.988 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.43 -60.63 0.57 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.783 178.77 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.807 ' CE1' HD22 ' A' ' 15' ' ' LEU . 14.9 m-85 . . . . . 0 N--CA 1.498 1.961 0 O-C-N 121.069 -1.02 . . . . 0.0 110.585 -179.922 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -63.13 -18.59 63.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.378 -1.451 . . . . 0.0 109.391 179.087 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.535 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.8 t80 -70.13 -48.28 58.18 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.137 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 18.3 t0 -70.42 -26.75 63.82 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.221 -0.924 . . . . 0.0 109.337 179.066 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -29.33 62.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.835 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -71.89 -44.29 67.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.617 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -68.26 -23.88 64.82 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.152 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -71.39 -31.06 66.86 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.948 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -49.78 47.08 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.79 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 3.6 mm? -65.84 -27.66 68.4 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.223 -0.923 . . . . 0.0 108.639 178.47 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 24.3 ttmt -65.06 -41.85 94.74 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.259 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 18' ' ' ALA . 17.0 tp10 -69.07 -60.48 2.32 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 178.655 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -33.47 -58.03 0.41 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.956 -0.465 . . . . 0.0 111.131 179.154 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 12.1 m-30 . . . . . 0 N--CA 1.498 1.929 0 O-C-N 121.015 -1.053 . . . . 0.0 110.64 -179.967 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -65.51 -20.8 66.49 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.231 -1.543 . . . . 0.0 109.532 179.348 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -37.84 70.58 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.45 -0.781 . . . . 0.0 109.873 179.433 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -69.66 -49.77 50.39 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.324 -0.86 . . . . 0.0 110.003 179.807 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -61.37 -28.14 69.02 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.28 -0.887 . . . . 0.0 108.663 179.354 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -76.07 -38.44 35.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.088 179.817 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.59 -25.51 64.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.274 -0.891 . . . . 0.0 109.904 179.29 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.52 -43.16 60.66 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.384 -0.822 . . . . 0.0 109.029 179.54 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -72.16 -27.27 62.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.46 -0.775 . . . . 0.0 110.211 179.723 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.611 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 23.7 tp -77.67 -28.92 51.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.265 -0.897 . . . . 0.0 108.966 179.238 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 17.6 tttt -70.76 -54.06 13.13 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.995 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' ALA . 21.2 tp10 -56.68 -44.68 81.68 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.59 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -39.73 -65.66 0.37 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.58 178.667 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CZ ' ' HG ' ' A' ' 15' ' ' LEU . 17.8 m-85 . . . . . 0 N--CA 1.501 2.078 0 O-C-N 121.499 -0.751 . . . . 0.0 111.092 -179.671 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.446 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 58.3 t80 -73.02 -19.04 61.27 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.577 -1.327 . . . . 0.0 110.057 179.859 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.516 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -75.62 -35.92 60.37 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.191 -0.943 . . . . 0.0 108.775 179.132 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 66.5 m-20 -71.46 -36.97 71.38 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.505 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -28.93 66.64 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.509 -0.744 . . . . 0.0 109.062 178.794 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -75.46 -42.69 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.367 179.625 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -68.18 -24.79 65.0 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.438 -0.789 . . . . 0.0 109.278 179.016 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 27.8 mm-40 -72.92 -39.83 65.96 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.594 -0.691 . . . . 0.0 109.415 179.401 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -68.84 -40.61 79.34 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.323 -0.861 . . . . 0.0 109.679 179.548 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.594 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 35.2 mt -71.35 -27.33 63.29 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.343 -0.848 . . . . 0.0 109.021 179.055 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -40.91 85.45 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.626 0.727 . . . . 0.0 109.068 179.622 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 18' ' ' ALA . 6.9 tt0 -71.65 -55.06 8.45 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.651 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -39.16 -70.64 0.1 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.768 -0.583 . . . . 0.0 110.811 179.273 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 17.9 p90 . . . . . 0 N--CA 1.487 1.39 0 O-C-N 120.799 -1.188 . . . . 0.0 110.491 -179.675 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 2.0 t80 -67.73 -19.06 65.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.355 -1.466 . . . . 0.0 109.702 179.369 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.557 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.2 t80 -71.16 -41.41 70.42 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.187 -0.945 . . . . 0.0 108.729 179.023 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.69 -37.46 82.33 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.292 -0.88 . . . . 0.0 109.361 179.177 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -71.77 -25.24 61.95 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.387 -0.821 . . . . 0.0 109.189 179.151 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -73.18 -42.92 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.393 -0.817 . . . . 0.0 108.925 179.349 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.445 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -70.6 -20.66 62.74 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 178.992 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 4.9 tp10 -71.76 -43.66 65.37 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.366 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -40.73 77.78 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.48 -0.763 . . . . 0.0 109.414 179.152 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 4.5 mp -68.46 -28.31 66.93 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.588 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 4.7 ttmt -67.59 -38.2 83.67 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.337 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -70.61 -54.37 12.28 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.408 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.9 -73.77 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.865 -0.522 . . . . 0.0 110.201 178.894 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 17.4 p90 . . . . . 0 N--CA 1.486 1.326 0 O-C-N 120.925 -1.109 . . . . 0.0 110.636 -179.611 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.444 0.164 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 11' ' ' VAL . 27.4 t80 -71.44 -14.39 62.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.238 -1.539 . . . . 0.0 110.788 -179.53 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -75.54 -46.8 29.93 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.136 -0.978 . . . . 0.0 110.022 -179.905 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -65.47 -43.33 90.61 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.375 -0.828 . . . . 0.0 110.277 -179.894 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.44 ' HA ' ' CD ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -62.37 -31.84 72.55 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.034 -1.041 . . . . 0.0 108.634 179.161 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.5 t -68.27 -39.5 81.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.01 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -65.31 -28.23 69.17 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.522 -0.736 . . . . 0.0 109.355 178.797 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.44 ' CD ' ' HA ' ' A' ' 10' ' ' LYS . 9.9 mt-10 -66.41 -38.0 86.49 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.109 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -45.82 74.41 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.514 -0.741 . . . . 0.0 109.614 179.056 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.529 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -66.48 -26.2 67.07 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.218 -0.926 . . . . 0.0 109.1 179.144 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.62 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.58 -46.18 76.84 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.979 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.5 mm-40 -61.33 -60.04 4.35 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.168 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.42 -58.58 0.48 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.052 178.972 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 . . . . . 0 N--CA 1.498 1.964 0 O-C-N 121.189 -0.944 . . . . 0.0 110.673 -179.974 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.313 0.102 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 061 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.531 ' CE1' HG21 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -73.14 -18.48 61.28 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 120.309 -1.495 . . . . 0.0 109.949 -179.917 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -76.15 -57.37 3.91 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.286 -0.884 . . . . 0.0 110.36 -179.953 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.82 -42.24 83.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.138 -0.976 . . . . 0.0 110.391 -179.721 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -67.82 -27.26 66.57 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.2 -0.937 . . . . 0.0 109.34 179.754 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.531 HG21 ' CE1' ' A' ' 7' ' ' PHE . 1.3 t -76.97 -50.62 20.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.441 -0.787 . . . . 0.0 109.603 179.771 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -61.17 -24.44 66.31 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.442 -0.786 . . . . 0.0 109.653 179.556 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.66 -45.81 60.83 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.478 -0.764 . . . . 0.0 109.463 179.696 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -45.53 80.52 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.704 179.847 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 51.7 mt -62.99 -29.56 70.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.91 -1.119 . . . . 0.0 108.694 179.126 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -62.66 -39.5 94.12 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.876 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.8 mt-10 -70.47 -60.08 2.47 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.532 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.39 -64.75 0.23 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.973 -0.454 . . . . 0.0 111.073 179.406 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.593 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 3.1 p90 . . . . . 0 N--CA 1.487 1.402 0 O-C-N 120.671 -1.268 . . . . 0.0 110.498 179.78 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.451 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 6.2 t80 -69.1 -18.78 64.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.364 -1.46 . . . . 0.0 109.803 179.662 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.493 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -71.77 -64.3 0.96 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.342 -0.849 . . . . 0.0 109.383 179.6 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 6.4 t0 -59.44 -29.4 67.75 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.614 179.337 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 7.0 mmtt -71.57 -28.54 63.91 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.294 -0.879 . . . . 0.0 109.237 179.119 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -69.99 -44.88 78.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.976 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -71.45 -21.7 61.92 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.289 178.78 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -73.13 -36.63 66.74 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.655 -0.653 . . . . 0.0 109.637 179.569 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -75.69 -37.9 59.13 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.475 -0.765 . . . . 0.0 110.359 -179.853 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.573 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 5.8 mt -73.65 -26.12 60.6 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.153 -0.967 . . . . 0.0 109.383 179.278 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 15.3 tttt -70.45 -50.39 38.8 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.233 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.3 -46.25 90.51 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.168 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.91 -73.19 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.757 -0.589 . . . . 0.0 110.14 179.047 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 18.5 p90 . . . . . 0 N--CA 1.486 1.358 0 O-C-N 120.899 -1.125 . . . . 0.0 110.17 179.784 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.489 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 48.0 t80 -69.35 -20.26 63.85 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.337 -1.477 . . . . 0.0 109.785 179.552 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.7 t80 -68.07 -50.75 53.15 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.356 -0.84 . . . . 0.0 110.194 179.829 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.44 -35.27 78.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.192 -0.943 . . . . 0.0 110.458 -179.744 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -30.26 69.49 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.174 -0.954 . . . . 0.0 109.344 179.431 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -75.48 -41.22 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.467 -0.771 . . . . 0.0 109.769 179.81 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -71.39 -22.25 61.9 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.35 -0.844 . . . . 0.0 109.654 179.409 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -43.76 62.33 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.574 -0.703 . . . . 0.0 109.444 179.549 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -70.01 -35.19 74.17 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.931 179.61 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 8.0 mp -74.88 -24.23 58.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.197 -0.939 . . . . 0.0 109.413 179.222 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -68.59 -50.21 53.39 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.04 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -62.66 -48.44 79.32 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.376 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.32 -76.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.884 -0.51 . . . . 0.0 110.286 178.904 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 13.9 p90 . . . . . 0 N--CA 1.487 1.386 0 O-C-N 120.975 -1.078 . . . . 0.0 110.47 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.612 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.63 -26.96 64.67 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.252 -0.905 . . . . 0.0 109.697 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.098 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -59.99 -28.04 67.37 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.642 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.87 -50.38 24.21 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.5 ttmt -51.54 -27.4 10.74 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 104.717 -2.327 . . . . 0.0 104.717 175.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.098 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.78 -45.17 62.48 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.453 -1.248 . . . . 0.0 110.521 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.487 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 53.0 t80 -70.0 -23.4 63.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.274 -1.516 . . . . 0.0 110.036 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.643 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.5 t80 -67.25 -63.0 1.15 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.233 -0.917 . . . . 0.0 109.771 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -60.1 -31.5 70.09 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.194 -0.941 . . . . 0.0 109.907 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.54 -28.83 66.35 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.317 -0.865 . . . . 0.0 109.582 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.772 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -77.32 -37.31 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.353 -0.842 . . . . 0.0 109.767 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.64 -23.6 60.93 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.391 -0.818 . . . . 0.0 109.766 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -75.56 -46.13 33.78 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.475 -0.766 . . . . 0.0 109.805 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -67.19 -40.83 86.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.394 -0.816 . . . . 0.0 109.852 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 11' ' ' VAL . 5.2 mp -71.93 -24.55 61.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.245 -0.909 . . . . 0.0 109.405 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 1.4 ttmt -68.1 -47.99 66.72 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.0 tt0 -65.03 -53.53 44.54 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -39.8 -72.44 0.06 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.816 -0.553 . . . . 0.0 110.369 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 43.3 p90 -111.69 40.5 2.11 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.96 -1.087 . . . . 0.0 110.315 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.516 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.645 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.96 -22.71 65.02 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.089 -1.007 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.108 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -61.91 -29.66 70.36 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 177.805 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.683 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -73.92 -48.19 32.5 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -177.835 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.2 tttt -52.31 -26.45 12.16 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 175.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.108 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.06 -50.6 32.1 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 114.603 -1.181 . . . . 0.0 110.976 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.488 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 51.9 t80 -71.86 -22.75 61.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.043 -1.661 . . . . 0.0 110.273 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.472 ' O ' HG12 ' A' ' 11' ' ' VAL . 66.9 t80 -69.22 -61.42 1.8 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.354 -0.841 . . . . 0.0 109.796 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 1.6 p30 -56.66 -37.18 70.45 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.975 -1.078 . . . . 0.0 109.758 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -62.82 -33.85 76.08 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.488 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -72.47 -37.02 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.412 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -23.04 65.74 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.538 -0.726 . . . . 0.0 109.654 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.55 -50.94 22.15 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.618 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -69.12 -18.77 64.01 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.217 178.803 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.532 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -85.01 -26.23 27.2 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.653 0.74 . . . . 0.0 109.013 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -64.73 -47.33 78.65 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.009 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.3 mp0 -74.7 -48.25 26.96 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 14' ' ' LYS . . . -35.35 -61.41 0.44 Allowed 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.48 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 11.7 m-85 -29.12 94.17 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.596 -0.69 . . . . 0.0 111.318 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.471 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.307 -1.251 0 O-C-N 119.896 -1.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.739 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.4 -33.39 67.13 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.148 -0.97 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.114 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -57.81 -26.24 61.71 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 177.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.33 -49.23 23.77 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.808 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' LEU . 8.7 tttt -51.72 -27.75 12.86 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.114 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -67.32 -51.43 52.61 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.986 177.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 11' ' ' VAL . 22.2 t80 -63.56 -37.88 88.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.189 -1.569 . . . . 0.0 109.952 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.48 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -63.61 -23.05 67.22 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.263 -0.898 . . . . 0.0 109.371 179.322 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 86.2 m-20 -83.52 -40.88 18.6 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.288 -0.883 . . . . 0.0 110.99 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -33.26 75.57 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.938 -1.101 . . . . 0.0 108.842 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.585 HG23 ' N ' ' A' ' 12' ' ' ALA . 32.6 m -76.41 -45.46 34.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.642 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.585 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -61.87 -24.13 66.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.405 -0.809 . . . . 0.0 110.025 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -48.41 39.31 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -22.35 65.55 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.789 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 2.9 mm? -84.67 -25.88 28.16 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -63.52 -45.93 88.36 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.111 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 mt-10 -71.53 -52.75 16.58 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.8 -59.42 0.48 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.998 -0.439 . . . . 0.0 111.408 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 16.0 m-85 -34.27 -61.1 0.39 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.269 -0.894 . . . . 0.0 110.923 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.429 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.515 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 28.2 t0 -74.05 -31.77 63.02 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.304 -0.873 . . . . 0.0 110.256 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.108 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -59.46 -26.85 65.57 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.661 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.37 -48.93 24.96 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -177.441 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.515 ' HD3' ' HA ' ' A' ' 2' ' ' ASP . 1.6 mptp? -51.48 -27.22 9.87 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 175.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.108 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.05 -54.29 15.9 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.1 178.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.6 -23.03 63.47 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.069 -1.644 . . . . 0.0 110.806 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.8 -34.27 71.58 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.167 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -67.37 -50.17 60.87 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.435 -0.791 . . . . 0.0 109.833 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -61.88 -29.26 70.08 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -66.36 -40.54 86.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.584 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . . . -67.14 -26.97 66.94 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.841 -0.743 . . . . 0.0 109.44 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -34.7 78.03 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.668 0.747 . . . . 0.0 109.139 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -72.09 -54.38 9.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.793 -0.567 . . . . 0.0 111.727 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.986 HD12 ' N ' ' A' ' 16' ' ' LYS . 4.5 pp -57.36 -32.72 67.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.708 -1.245 . . . . 0.0 108.825 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.986 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -67.99 -40.03 83.15 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . 25.1 tp10 -61.16 -61.94 2.2 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.05 -70.94 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.327 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 43.4 p90 -112.22 155.87 23.3 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.858 -1.151 . . . . 0.0 110.223 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.937 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.678 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 5.0 m-20 -71.72 -28.75 63.9 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.136 -0.977 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.085 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -60.11 -27.87 67.38 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -74.89 -50.67 16.14 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -177.374 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -51.16 -28.71 11.7 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 175.034 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.085 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.58 -40.28 66.73 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.57 176.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' LEU . 8.2 t80 -66.88 -21.61 66.0 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.523 -1.361 . . . . 0.0 109.579 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.82 -67.36 0.51 Allowed 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.523 -0.735 . . . . 0.0 109.75 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 5' ' ' LYS . 1.3 p30 -53.02 -36.15 60.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.278 -0.889 . . . . 0.0 109.564 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 1.7 tptt -73.14 -24.25 60.56 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.309 -0.869 . . . . 0.0 109.361 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.1 t -70.46 -46.35 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -69.11 -23.81 64.04 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.468 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -67.68 -37.43 82.32 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.581 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -71.08 -34.87 71.58 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.53 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 3.1 mt -70.73 -29.77 66.12 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 5.0 mttp -66.74 -45.19 79.43 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' ALA . 30.6 tt0 -62.18 -57.09 12.79 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.09 -59.53 0.61 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.941 -0.475 . . . . 0.0 111.026 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 6.0 m-30 -36.96 106.19 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.233 -0.917 . . . . 0.0 110.412 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.779 -1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.737 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -81.17 -39.17 25.91 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.302 -0.874 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.092 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.6 p-90 -57.85 -27.47 63.24 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.648 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.53 -51.8 18.35 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.515 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' LEU . 1.9 mmmm -51.29 -27.29 9.05 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 175.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.092 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.74 -42.15 64.37 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.527 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.527 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 16.8 t80 -74.74 -21.56 59.28 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.332 -1.48 . . . . 0.0 110.724 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.448 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -75.27 -64.51 1.04 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.28 -0.887 . . . . 0.0 110.498 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 7.8 p-10 -55.82 -37.02 68.12 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.915 . . . . 0.0 110.016 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.49 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 17.6 ttpt -64.14 -33.4 75.68 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -69.47 -37.97 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.014 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.78 -22.36 62.39 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.613 -0.679 . . . . 0.0 109.704 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.85 -42.92 66.34 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.482 -0.762 . . . . 0.0 109.243 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -74.85 -36.64 62.34 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.762 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.579 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 19.3 mt -73.63 -24.73 60.06 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.119 -0.988 . . . . 0.0 109.797 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -51.68 20.32 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.259 -0.901 . . . . 0.0 109.029 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.5 tt0 -60.46 -55.8 29.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -37.78 -63.55 0.46 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.862 -0.524 . . . . 0.0 110.946 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 15' ' ' LEU . 9.6 m-30 -34.26 103.05 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.29 -0.881 . . . . 0.0 111.017 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.434 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.642 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -27.33 66.44 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.093 -1.004 . . . . 0.0 109.613 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.116 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -60.41 -27.04 67.14 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.633 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.68 -51.57 18.82 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -177.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -50.47 -29.41 10.31 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 175.488 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.116 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -66.87 -47.63 71.29 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.784 177.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.784 ' O ' HG22 ' A' ' 11' ' ' VAL . 66.3 t80 -62.15 -26.52 68.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.315 -1.491 . . . . 0.0 110.0 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -32.16 70.28 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.137 -0.977 . . . . 0.0 109.899 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 9.0 m-20 -81.84 -28.26 33.15 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.99 -1.069 . . . . 0.0 109.9 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' O ' ' HD3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -73.07 -32.76 65.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 109.218 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 7' ' ' PHE . 10.9 m -79.45 -41.87 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.889 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -70.11 -22.72 62.99 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.027 -1.046 . . . . 0.0 109.996 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 18.5 tt0 -76.24 -48.77 19.08 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.358 -0.838 . . . . 0.0 110.29 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.554 ' CG ' ' N ' ' A' ' 15' ' ' LEU . 10.5 pttm -64.59 -45.39 87.18 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.796 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 19.2 mt -67.82 -26.04 65.87 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.406 -0.809 . . . . 0.0 109.183 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -65.46 -47.28 76.67 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.332 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -65.04 -48.96 72.01 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.395 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.68 -74.29 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.766 -0.584 . . . . 0.0 110.15 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 2.0 p90 -91.55 42.36 1.1 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.986 -1.071 . . . . 0.0 110.576 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.81 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -76.63 -32.2 57.87 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.1 -1.0 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.086 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -59.62 -27.29 66.18 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.97 -53.04 14.27 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -178.069 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.3 tptt -51.63 -26.31 8.71 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 175.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.086 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -68.68 -49.52 58.34 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.286 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' O ' HG23 ' A' ' 11' ' ' VAL . 4.8 t80 -66.54 -23.21 66.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 119.984 -1.697 . . . . 0.0 110.057 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -31.36 45.75 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.153 -0.967 . . . . 0.0 109.66 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -70.59 -52.0 24.52 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.405 -0.809 . . . . 0.0 109.331 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 6' ' ' ALA . 24.7 mtmt -63.89 -25.68 68.26 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.0 t -70.04 -41.77 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.78 -22.24 60.87 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.492 -0.755 . . . . 0.0 109.317 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -72.39 -36.99 68.82 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.664 -0.647 . . . . 0.0 109.642 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 19.1 mtpt -78.41 -38.58 41.2 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.5 -0.75 . . . . 0.0 110.268 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD23 ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -69.42 -28.1 65.85 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.157 -0.964 . . . . 0.0 108.895 179.034 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 19' ' ' PHE . 1.8 tttt -69.5 -48.65 59.92 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -48.21 82.48 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.17 -75.48 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.779 -0.576 . . . . 0.0 110.728 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.542 ' CE2' HD23 ' A' ' 15' ' ' LEU . 24.5 p90 -105.59 176.22 5.24 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.853 -1.155 . . . . 0.0 110.666 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 O-C-N 119.993 -1.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -68.58 -29.14 67.62 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.153 -0.967 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.105 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.6 p-90 -58.13 -28.23 64.48 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.665 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.02 -51.61 15.34 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -177.579 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.04 -26.35 6.12 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 175.134 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.105 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.69 -46.24 54.73 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.58 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.561 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 2.7 t80 -73.36 -22.46 60.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.185 -1.572 . . . . 0.0 110.328 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.536 ' O ' HG12 ' A' ' 11' ' ' VAL . 17.6 t80 -78.7 -43.16 26.56 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.135 -0.978 . . . . 0.0 110.404 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 9.8 t70 -69.75 -38.12 76.69 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.217 -0.927 . . . . 0.0 110.326 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 6' ' ' ALA . 26.8 mmtt -70.83 -28.62 64.74 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.205 -0.934 . . . . 0.0 109.237 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.561 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -70.41 -43.55 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 119.332 -0.947 . . . . 0.0 108.683 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.459 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -72.52 -20.72 61.3 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 121.696 0.76 . . . . 0.0 109.124 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -67.67 -40.55 84.44 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.557 0.694 . . . . 0.0 109.156 179.521 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -48.54 63.18 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.136 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.549 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 6.9 mp -70.29 -21.61 62.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.03 -1.043 . . . . 0.0 109.423 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 5.5 tttt -67.76 -48.6 65.94 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -67.86 -52.93 30.98 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.533 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.54 -61.04 0.48 Allowed 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.838 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 12.6 m-30 -35.56 -42.38 0.23 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.283 -0.885 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.763 -1.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.654 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -76.87 -34.79 57.77 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.132 -0.98 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.103 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.7 p-90 -57.12 -26.35 60.36 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.634 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.2 -51.25 22.0 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -177.812 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' LEU . 13.5 ttpt -51.32 -27.94 10.86 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 175.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.103 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.29 -43.04 67.9 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.434 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 14.3 t80 -65.84 -35.54 80.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.263 -1.523 . . . . 0.0 110.269 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.507 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -66.97 -32.85 74.37 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.12 -0.987 . . . . 0.0 110.01 179.663 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.38 -45.99 57.29 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.094 -1.004 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -66.73 -28.71 68.64 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.184 -0.947 . . . . 0.0 109.125 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -79.03 -38.26 20.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.622 179.604 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.2 63.28 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.242 -0.911 . . . . 0.0 109.425 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.4 -43.93 59.48 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.424 -0.798 . . . . 0.0 109.006 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -66.24 -38.53 88.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.397 -0.814 . . . . 0.0 109.717 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.624 HD12 ' CE1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -70.97 -28.08 64.2 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.08 -1.012 . . . . 0.0 108.902 178.811 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.1 ttmm -66.77 -43.0 85.17 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.5 tm-20 -65.91 -58.0 6.57 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.21 -60.49 0.56 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 122.004 -0.435 . . . . 0.0 110.852 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.624 ' CE1' HD12 ' A' ' 15' ' ' LEU . 10.1 m-85 -36.49 113.25 0.22 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.218 -0.926 . . . . 0.0 110.653 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.741 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -32.17 58.91 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.316 -0.865 . . . . 0.0 110.52 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.117 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -57.67 -26.69 62.03 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 178.075 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.643 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.95 -49.21 20.84 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -177.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' LEU . 6.0 ttmt -50.08 -27.42 5.62 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 175.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.117 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.77 -52.05 28.67 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.284 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 4.8 t80 -66.23 -45.37 80.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.288 -1.508 . . . . 0.0 110.211 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.532 ' O ' HG12 ' A' ' 11' ' ' VAL . 7.5 t80 -51.32 -37.52 48.16 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.926 -1.109 . . . . 0.0 109.493 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -76.08 -30.36 58.3 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.145 -0.972 . . . . 0.0 110.111 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -30.15 67.81 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.331 -0.856 . . . . 0.0 109.548 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.562 ' CG1' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -80.27 -49.78 18.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.775 -179.762 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.815 ' HA ' HD21 ' A' ' 15' ' ' LEU . . . -55.73 -34.39 65.12 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.906 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.9 -29.74 62.23 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.429 -0.794 . . . . 0.0 109.234 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -68.39 -66.26 0.59 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.494 -0.754 . . . . 0.0 109.996 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.815 HD21 ' HA ' ' A' ' 12' ' ' ALA . 1.3 pp -50.28 -34.29 22.87 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.73 -35.81 75.31 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.683 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 18' ' ' ALA . 8.3 tt0 -74.45 -63.76 1.17 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -31.8 -64.34 0.16 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 120.808 0.337 . . . . 0.0 110.83 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 15' ' ' LEU . 32.2 p90 -117.4 -165.5 1.09 Allowed 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.005 -1.059 . . . . 0.0 110.061 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.866 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.403 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.629 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -62.23 -27.32 68.91 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.132 -0.98 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.1 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.9 p-90 -59.06 -29.12 67.07 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 177.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.661 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.74 -50.21 26.03 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -177.148 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.51 -29.12 15.57 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 175.18 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.1 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.09 -39.58 72.06 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.145 -1.389 . . . . 0.0 109.85 177.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.697 ' O ' HG13 ' A' ' 11' ' ' VAL . 17.1 t80 -66.46 -33.88 76.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.377 -1.452 . . . . 0.0 109.438 179.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.505 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -68.42 -25.94 65.28 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.248 -0.908 . . . . 0.0 108.995 178.82 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -39.74 33.11 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.427 -0.796 . . . . 0.0 110.457 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -70.12 -28.14 65.15 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.214 -0.929 . . . . 0.0 109.442 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 7' ' ' PHE . 27.3 m -81.16 -46.55 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.665 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.563 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -67.36 -21.32 65.63 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.48 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -49.54 19.44 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 121.51 0.672 . . . . 0.0 109.434 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -31.87 72.82 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.431 -0.793 . . . . 0.0 109.666 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.584 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 50.3 mt -77.13 -25.78 52.47 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.422 -0.799 . . . . 0.0 109.198 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -68.49 -49.54 58.99 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -46.18 82.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.0 -76.11 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.729 -0.607 . . . . 0.0 110.219 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 16.7 p90 -99.7 38.41 1.45 Allowed 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.985 -1.072 . . . . 0.0 110.506 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.668 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 3.8 m-20 -75.26 -33.25 61.27 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.155 -0.966 . . . . 0.0 110.152 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.126 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -57.39 -25.03 58.88 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 177.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.64 -48.87 29.12 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -178.458 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' LEU . 1.3 tttt -50.86 -27.56 7.7 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 104.791 -2.299 . . . . 0.0 104.791 175.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.126 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -68.82 -52.41 30.38 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.39 177.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.478 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 61.7 t80 -59.95 -18.92 49.01 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.271 -1.518 . . . . 0.0 108.764 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -69.61 -45.9 67.49 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -56.56 -53.37 58.31 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.437 -0.79 . . . . 0.0 109.145 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -65.59 -20.65 66.4 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.289 -0.882 . . . . 0.0 108.799 178.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -63.84 -46.39 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.504 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -63.2 -30.14 71.35 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -67.21 -25.58 66.18 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 11' ' ' VAL . 16.1 mttt -71.1 -58.41 3.58 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.697 -0.627 . . . . 0.0 109.793 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.574 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 2.4 mp -60.7 -28.5 68.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.024 -1.048 . . . . 0.0 108.425 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -61.62 -42.9 99.54 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.348 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' O ' ' C ' ' A' ' 18' ' ' ALA . 6.4 tt0 -72.76 -61.91 1.64 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.76 -54.18 0.11 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 122.123 -0.36 . . . . 0.0 111.719 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 12.6 m-85 -38.85 -27.59 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.989 -1.07 . . . . 0.0 110.431 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.48 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.219 -0.53 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 1.4 m-20 -70.2 -24.81 63.18 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.963 -1.086 . . . . 0.0 109.798 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.098 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -61.54 -27.7 68.8 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 177.539 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.591 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -70.31 -50.86 34.93 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 -178.838 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' LEU . 27.8 mttp -51.97 -26.61 10.91 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 175.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.098 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.53 -53.89 16.82 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.486 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.524 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 45.8 t80 -66.21 -27.02 67.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 119.93 -1.731 . . . . 0.0 110.393 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.53 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -65.11 -44.35 89.05 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.25 -0.906 . . . . 0.0 109.687 179.53 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -62.16 -47.26 85.29 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -67.99 -21.82 65.04 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.216 -0.927 . . . . 0.0 109.589 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -71.18 -44.59 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.3 -0.875 . . . . 0.0 109.265 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -69.79 -22.75 63.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.596 -0.69 . . . . 0.0 109.892 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -72.53 -40.7 66.57 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.325 -0.859 . . . . 0.0 109.228 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.26 -20.05 52.45 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.509 -0.744 . . . . 0.0 109.903 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.2 mp -79.33 -31.11 43.03 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.187 -0.946 . . . . 0.0 108.524 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 24.0 tttt -65.49 -47.38 76.21 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -42.31 92.94 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -44.84 -74.6 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.876 -0.515 . . . . 0.0 110.734 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -103.59 11.18 36.49 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.789 -1.194 . . . . 0.0 110.796 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.516 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.648 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 1.3 m-20 -69.62 -28.21 65.73 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.1 -1.0 . . . . 0.0 109.568 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.098 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -60.1 -27.43 67.0 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.14 -48.81 26.92 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -178.026 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -51.53 -27.97 12.34 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.368 -2.456 . . . . 0.0 104.368 175.155 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.098 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.75 -44.88 63.31 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.646 177.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.517 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 25.6 t80 -70.58 -22.79 62.53 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.263 -1.523 . . . . 0.0 110.44 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.618 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.03 -64.27 0.94 Allowed 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.035 -1.041 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 5' ' ' LYS . 7.8 p-10 -54.59 -28.57 47.24 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.016 -1.052 . . . . 0.0 109.309 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -29.8 61.64 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -76.69 -37.94 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 109.888 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -72.18 -26.28 62.01 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.336 -0.853 . . . . 0.0 109.302 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.75 -30.94 51.78 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.475 -0.766 . . . . 0.0 109.961 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -76.65 -48.55 18.69 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.165 -0.959 . . . . 0.0 109.91 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 2.3 mm? -70.38 -24.69 62.99 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.284 -0.885 . . . . 0.0 109.336 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 16.4 ttmt -71.62 -50.82 27.15 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.487 -0.758 . . . . 0.0 109.037 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -44.28 95.62 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.13 -75.56 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.097 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 16' ' ' LYS . 19.2 p90 -106.1 -155.99 0.56 Allowed 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.848 -1.158 . . . . 0.0 110.563 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.734 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.68 -35.36 62.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.959 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.08 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -57.88 -25.77 61.22 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 177.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.633 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.45 -53.24 12.73 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.511 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 0.8 OUTLIER -52.74 -26.23 13.51 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 175.862 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.08 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -66.25 -52.97 42.4 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.853 178.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' O ' HG22 ' A' ' 11' ' ' VAL . 5.2 t80 -72.08 -40.91 67.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.056 -1.653 . . . . 0.0 109.69 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -59.27 -19.09 43.07 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.243 -0.911 . . . . 0.0 109.262 178.834 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -83.79 -45.33 13.44 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.459 -0.776 . . . . 0.0 111.229 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -32.47 74.03 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.96 -1.088 . . . . 0.0 108.817 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.565 HG23 ' N ' ' A' ' 12' ' ' ALA . 34.0 m -75.88 -44.77 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.488 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.565 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -62.04 -23.83 66.7 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.311 -0.868 . . . . 0.0 109.514 179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.99 -47.12 63.46 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -66.25 -24.95 66.67 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.155 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.489 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -77.02 -30.24 55.71 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -63.83 -41.97 97.74 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.9 tt0 -70.37 -59.15 3.03 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.31 -57.51 0.49 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.934 -0.479 . . . . 0.0 111.382 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 8.1 m-30 -36.54 99.72 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.144 -0.972 . . . . 0.0 110.733 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 119.936 -1.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.593 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -68.4 -24.48 64.77 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.081 -1.012 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.153 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -60.82 -28.03 68.49 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 177.765 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.86 -47.51 37.79 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 -178.523 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 4' ' ' LEU . 9.7 mmmt -51.29 -27.87 10.55 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 175.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.153 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.23 -50.28 41.45 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 114.44 -1.255 . . . . 0.0 110.308 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.63 ' O ' HG13 ' A' ' 11' ' ' VAL . 55.0 t80 -68.06 -20.94 65.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.336 -1.478 . . . . 0.0 109.966 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.536 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.5 t80 -73.06 -35.05 66.62 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.234 -0.916 . . . . 0.0 109.455 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 28.4 t70 -77.7 -34.63 52.74 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.342 -0.849 . . . . 0.0 109.627 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -68.08 -29.82 68.86 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.269 -0.895 . . . . 0.0 109.304 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 7' ' ' PHE . 27.2 m -81.08 -43.38 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 119.566 -0.854 . . . . 0.0 110.724 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -68.5 -25.4 64.94 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.12 -0.987 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -82.38 -37.29 25.82 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.236 -0.915 . . . . 0.0 110.612 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -33.42 66.68 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.986 -1.071 . . . . 0.0 110.098 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.587 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.4 mm? -82.65 -25.17 33.34 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.222 -0.924 . . . . 0.0 108.787 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -66.52 -49.93 64.87 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.134 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.5 mm-40 -67.27 -44.92 78.13 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.19 -75.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.804 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 7.6 p90 -91.9 142.53 27.46 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.018 -1.051 . . . . 0.0 110.18 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.44 0 O-C-N 119.94 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.415 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.218 -0.603 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -68.5 -26.16 65.32 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.096 -1.002 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.094 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -60.32 -27.89 67.7 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 177.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.627 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.41 -51.23 21.3 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -177.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 4' ' ' LEU . 14.8 ttpt -51.53 -27.33 10.47 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 175.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.094 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.53 -46.74 63.04 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.309 177.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.48 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 67.9 t80 -69.02 -21.76 64.11 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.281 -1.512 . . . . 0.0 109.882 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.65 ' O ' HG12 ' A' ' 11' ' ' VAL . 26.9 t80 -67.3 -68.32 0.39 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.379 -0.825 . . . . 0.0 109.781 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.01 -30.88 62.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.158 -0.964 . . . . 0.0 109.736 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -29.41 67.24 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.342 -0.848 . . . . 0.0 109.47 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.897 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -76.87 -37.39 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.336 -0.853 . . . . 0.0 109.812 179.83 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' LYS . . . -73.68 -23.29 59.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.426 -0.796 . . . . 0.0 109.587 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -44.9 48.37 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.513 -0.742 . . . . 0.0 109.535 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -72.2 -30.41 64.92 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.369 -0.832 . . . . 0.0 109.881 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.897 HD13 ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -76.23 -26.2 55.83 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.309 -0.869 . . . . 0.0 109.271 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 1.3 mmtt -67.86 -48.14 66.97 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.26 -48.01 77.37 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.62 -77.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.729 -0.607 . . . . 0.0 110.166 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 12.9 p90 -99.02 169.93 9.08 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.003 -1.06 . . . . 0.0 110.436 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.737 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.43 -31.65 68.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.218 -0.926 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.121 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -58.02 -27.23 63.35 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.663 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.47 -48.79 30.74 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -177.734 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' LEU . 6.6 mttp -52.28 -27.22 14.25 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 175.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.121 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.68 -50.32 45.07 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.759 177.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.488 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 11.2 t80 -66.12 -19.5 65.86 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.363 -1.461 . . . . 0.0 109.049 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.54 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.63 -50.87 32.36 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.627 -0.67 . . . . 0.0 109.429 179.219 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -61.05 -40.29 93.07 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.276 -0.89 . . . . 0.0 109.363 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -67.85 -27.1 66.4 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.417 -0.802 . . . . 0.0 109.377 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -71.69 -42.25 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.879 . . . . 0.0 109.176 179.459 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -73.55 -20.74 60.56 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.566 -0.709 . . . . 0.0 110.014 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.81 -43.68 58.07 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.519 -0.738 . . . . 0.0 109.85 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -71.45 -40.81 70.11 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.526 -0.734 . . . . 0.0 109.684 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.0 mm? -70.66 -25.31 62.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.297 -0.877 . . . . 0.0 109.016 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -68.58 -47.67 66.19 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.748 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -58.35 -51.17 70.94 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -41.19 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.027 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 20.1 p90 -102.76 -152.8 0.45 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.818 -1.176 . . . . 0.0 110.609 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.65 -1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.573 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -69.79 -23.94 63.42 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.076 -1.015 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.083 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -61.11 -29.54 69.83 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.648 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -70.86 -51.65 25.08 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 -178.198 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -52.01 -26.03 9.81 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 105.056 -2.202 . . . . 0.0 105.056 175.316 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.083 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.09 -44.96 62.44 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.438 178.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.46 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 27.4 t80 -66.44 -19.36 65.77 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.18 -1.575 . . . . 0.0 109.669 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -67.31 0.61 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.495 -0.753 . . . . 0.0 110.129 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.28 -41.79 65.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.292 -0.88 . . . . 0.0 110.165 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HE3' ' HB1' ' A' ' 6' ' ' ALA . 1.2 mtmt -62.58 -30.96 71.71 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.206 -0.934 . . . . 0.0 108.739 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -70.79 -36.56 65.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.294 179.523 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -69.98 -27.29 64.59 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.424 -0.797 . . . . 0.0 109.547 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.44 -35.72 68.37 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.379 -0.826 . . . . 0.0 109.903 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 10.9 tttm -76.85 -37.75 55.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.498 -0.751 . . . . 0.0 110.947 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 11' ' ' VAL . 4.9 mp -75.77 -24.37 56.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.976 -1.078 . . . . 0.0 110.34 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -73.06 -54.92 7.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.454 -0.898 . . . . 0.0 108.648 179.46 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.75 -39.31 84.33 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 14' ' ' LYS . . . -51.04 -79.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.869 -0.519 . . . . 0.0 110.056 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 8.0 p90 -98.46 30.13 3.35 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.001 -1.062 . . . . 0.0 110.642 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.737 -1.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.706 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -25.16 64.38 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.055 -1.028 . . . . 0.0 109.69 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.144 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -59.54 -28.69 67.33 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 177.643 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.67 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.74 -47.18 32.61 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -177.864 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -51.73 -26.91 10.37 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 175.05 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.144 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.46 -47.31 49.91 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.642 178.193 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.6 OUTLIER -70.73 -30.36 66.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.525 -1.359 . . . . 0.0 110.287 -179.792 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.523 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -68.15 -52.18 37.5 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.088 -1.007 . . . . 0.0 110.168 179.826 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -34.79 79.27 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.252 -0.905 . . . . 0.0 110.728 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 2.3 tppm? -73.98 -26.09 60.27 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.177 -0.952 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -75.3 -43.38 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 109.443 179.798 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -67.11 -24.55 65.94 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.157 179.147 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -37.6 68.35 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.586 -0.696 . . . . 0.0 109.718 179.478 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -76.53 -33.69 58.57 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.36 -0.837 . . . . 0.0 110.692 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.524 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.9 mp -74.85 -28.09 60.53 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.129 -0.982 . . . . 0.0 109.339 179.385 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 15.4 ttpt -71.45 -46.51 59.79 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.23 -48.28 76.43 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.04 -71.18 0.08 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.76 -0.587 . . . . 0.0 110.879 179.245 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 20.2 p90 -108.02 29.88 6.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.741 -1.224 . . . . 0.0 110.665 -179.396 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.512 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.624 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.93 -25.2 61.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.169 -0.957 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.127 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -60.57 -27.98 68.12 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 177.83 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.84 -48.59 24.33 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.087 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -51.19 -27.07 7.91 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 174.934 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.127 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.06 -50.15 36.96 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 114.46 -1.245 . . . . 0.0 110.334 177.609 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 11' ' ' VAL . 79.9 t80 -66.19 -14.88 62.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.204 -1.56 . . . . 0.0 109.491 179.504 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 1.7 t80 -77.67 -65.3 0.98 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.53 -0.732 . . . . 0.0 109.826 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -52.48 -38.9 60.47 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.657 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -66.38 -31.04 71.56 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.674 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.6 t -72.96 -36.53 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.156 179.286 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.35 62.54 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.471 -0.768 . . . . 0.0 109.128 178.823 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -76.1 -30.5 58.3 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -80.17 -28.87 38.7 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.525 -0.734 . . . . 0.0 109.189 179.073 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.583 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 5.9 mp -78.87 -28.51 44.19 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.394 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 9.7 tptp -71.74 -47.19 55.48 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -59.97 -57.17 14.03 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.115 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.52 -64.43 0.43 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.83 -0.544 . . . . 0.0 110.71 178.702 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 -34.23 129.15 0.38 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.336 -0.852 . . . . 0.0 110.826 -179.691 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.658 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 3' ' ' TRP . 9.5 p30 -73.55 -35.44 65.52 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.288 -0.883 . . . . 0.0 110.191 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.148 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -54.02 -26.9 28.7 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 177.907 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.654 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -74.6 -44.96 48.21 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -178.211 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -50.82 -28.64 9.83 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 174.775 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.148 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.6 -48.68 37.77 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.793 177.887 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 11' ' ' VAL . 6.2 t80 -70.84 -23.53 62.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.285 -1.509 . . . . 0.0 111.275 -179.505 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -49.52 18.17 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.94 -1.1 . . . . 0.0 109.788 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -37.0 86.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.404 -0.81 . . . . 0.0 109.942 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -66.05 -33.38 75.65 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.003 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.633 HG21 ' CE1' ' A' ' 7' ' ' PHE . 2.1 t -77.27 -30.36 17.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.338 179.3 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -74.04 -25.15 59.7 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.394 -0.816 . . . . 0.0 109.586 179.144 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.77 -44.28 56.52 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.577 -0.702 . . . . 0.0 109.175 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -69.82 -34.08 73.19 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.364 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 3.2 mm? -74.5 -28.38 60.98 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.547 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -70.28 -51.04 33.45 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.016 179.871 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ALA . 25.9 mm-40 -60.16 -53.05 62.31 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.091 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.06 -64.45 0.41 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.921 -0.487 . . . . 0.0 110.817 178.826 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 -31.59 -72.39 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.392 -0.818 . . . . 0.0 111.08 -179.597 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.915 -1.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.538 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -67.34 -25.36 65.96 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.07 -1.019 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.104 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -60.44 -27.58 67.62 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.026 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.639 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.67 -50.84 16.16 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -178.023 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.77 -26.79 10.35 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 175.341 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.104 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.48 -52.98 21.52 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.439 177.822 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 13.8 t80 -60.64 -29.41 69.24 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.053 -1.654 . . . . 0.0 109.066 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.703 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.3 t80 -68.67 -34.68 76.11 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 5.4 t70 -62.57 -59.99 4.15 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.481 -0.762 . . . . 0.0 109.883 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -30.33 62.05 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.843 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -61.76 -35.68 69.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.49 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 9' ' ' ASP . . . -68.11 -27.45 66.48 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.797 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -37.01 86.23 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.322 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -47.81 62.04 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.394 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.6 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 25.0 mt -68.15 -25.09 65.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.044 -1.035 . . . . 0.0 109.365 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 19' ' ' PHE . 6.3 tptp -69.11 -46.42 67.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.695 0.759 . . . . 0.0 109.051 179.347 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -50.51 71.07 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.446 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.3 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.207 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 3.9 p90 -103.53 -158.42 0.67 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.914 -1.116 . . . . 0.0 110.691 -179.732 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.743 -1.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.735 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -76.55 -36.07 57.85 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.089 -1.007 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.103 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -57.76 -27.97 63.53 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.09 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.667 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -75.28 -48.3 23.93 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -177.308 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -50.96 -28.54 10.05 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 104.065 -2.569 . . . . 0.0 104.065 175.042 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.103 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.03 -44.14 63.86 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.218 -1.355 . . . . 0.0 109.823 177.104 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.715 ' CD1' HG23 ' A' ' 11' ' ' VAL . 1.2 t80 -66.53 -28.71 68.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.557 -1.339 . . . . 0.0 109.87 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -68.6 -38.26 80.49 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.453 -0.779 . . . . 0.0 109.597 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.19 -56.27 15.9 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.472 -0.768 . . . . 0.0 110.485 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -66.12 -22.4 66.39 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.14 -0.975 . . . . 0.0 109.264 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.715 HG23 ' CD1' ' A' ' 7' ' ' PHE . 2.7 t -76.12 -38.53 34.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.381 179.504 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.53 -23.42 61.0 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.488 -0.758 . . . . 0.0 109.258 178.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.4 -43.83 59.69 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.522 -0.736 . . . . 0.0 109.563 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -68.86 -39.06 80.09 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.385 -0.822 . . . . 0.0 109.531 179.274 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.588 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 3.0 mp -66.19 -29.68 70.0 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 30.0 tttm -62.22 -43.65 98.35 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.814 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' ALA . 30.6 mt-10 -65.96 -56.84 9.62 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.557 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -37.35 -71.94 0.07 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.131 0.491 . . . . 0.0 110.333 179.099 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 2.3 p90 -94.24 178.94 5.47 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.007 -1.058 . . . . 0.0 110.073 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.667 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 5.3 t0 -68.11 -26.81 65.99 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.086 -1.009 . . . . 0.0 109.694 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.122 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -59.89 -28.93 67.98 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.659 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.85 -50.07 26.25 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.513 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.04 -26.45 10.88 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 175.4 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.122 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.65 -50.62 28.91 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.165 178.377 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.54 -10.93 59.89 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.288 -1.508 . . . . 0.0 110.076 -179.481 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -74.6 -58.04 3.54 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.295 -0.878 . . . . 0.0 109.035 179.295 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.65 -35.49 76.34 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.366 -0.834 . . . . 0.0 109.18 178.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.47 -33.18 74.34 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.659 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.39 -37.17 74.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.38 -24.33 64.77 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.464 -0.772 . . . . 0.0 110.058 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' OE2' ' HE3' ' A' ' 16' ' ' LYS . 22.2 mm-40 -72.82 -43.08 63.14 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.333 -0.854 . . . . 0.0 109.55 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -38.9 81.58 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.258 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.53 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 9.2 mp -76.36 -21.8 55.65 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.226 -0.921 . . . . 0.0 109.295 179.334 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HE3' ' OE2' ' A' ' 13' ' ' GLU . 9.8 ttpp -65.45 -46.52 79.55 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.048 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 mt-10 -71.79 -53.68 12.58 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.309 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -33.7 -58.39 0.42 Allowed 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.179 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 9.4 m-30 -35.85 -68.1 0.14 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.365 -0.834 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.283 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.435 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.698 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -70.5 -31.96 69.26 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.197 -0.939 . . . . 0.0 109.799 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.085 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.7 p-90 -57.94 -26.69 62.58 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.63 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.49 -51.1 21.51 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -177.843 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.33 -27.89 10.83 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 104.594 -2.373 . . . . 0.0 104.594 175.284 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.085 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.16 -42.25 66.13 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.439 177.623 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 8.9 t80 -70.48 -26.38 63.59 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.321 -1.487 . . . . 0.0 110.102 179.737 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.636 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -67.17 -67.46 0.45 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.309 -0.869 . . . . 0.0 109.91 179.672 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -57.22 -30.84 64.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.18 -0.95 . . . . 0.0 109.883 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -69.33 -29.41 67.23 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.365 -0.834 . . . . 0.0 109.362 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.894 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -76.64 -38.34 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.398 -0.814 . . . . 0.0 109.653 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.402 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -72.02 -23.92 61.47 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.347 -0.845 . . . . 0.0 109.598 179.266 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -74.49 -43.55 55.5 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.428 -0.795 . . . . 0.0 109.481 179.695 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -44.34 81.48 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.396 -0.815 . . . . 0.0 109.846 179.681 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 ' O ' ' A' ' 11' ' ' VAL . 5.1 mt -70.01 -24.26 63.26 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.196 -0.94 . . . . 0.0 109.36 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 15.8 tttt -66.51 -47.39 73.1 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.284 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.2 mm-40 -66.31 -56.94 8.73 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.427 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.64 -60.84 0.42 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 122.057 -0.402 . . . . 0.0 111.188 179.094 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 11.2 m-30 -35.84 -61.7 0.46 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.249 -0.907 . . . . 0.0 110.871 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.36 -30.05 68.91 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.292 -0.88 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.093 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.5 p-90 -58.4 -27.83 64.64 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.207 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.665 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -76.52 -48.74 18.43 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.883 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.38 -28.49 12.74 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 104.261 -2.496 . . . . 0.0 104.261 175.131 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.093 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.49 -46.5 63.6 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.982 -1.463 . . . . 0.0 110.008 177.092 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 7.4 t80 -73.41 -13.99 61.18 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 120.338 -1.476 . . . . 0.0 109.619 179.655 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.628 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.75 -61.23 1.86 Allowed 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.523 -0.735 . . . . 0.0 109.383 179.515 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.11 -30.55 70.43 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.129 -0.982 . . . . 0.0 109.907 179.609 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -31.37 69.63 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.252 -0.905 . . . . 0.0 109.268 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -72.74 -37.46 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.344 -0.847 . . . . 0.0 109.036 179.29 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -71.11 -21.22 62.24 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 121.685 0.755 . . . . 0.0 109.396 179.28 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.93 -49.28 30.4 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.442 -0.786 . . . . 0.0 109.499 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -65.67 -41.48 92.44 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.805 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.581 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -66.13 -28.15 68.58 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.195 -0.941 . . . . 0.0 109.0 178.985 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.613 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -66.45 -45.01 81.21 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.288 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' ALA . 71.2 mm-40 -63.31 -57.83 9.11 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.616 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.11 -60.04 0.58 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.08 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 5.3 m-30 -37.25 -70.07 0.1 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.13 -0.981 . . . . 0.0 110.69 -179.52 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.268 0 O-C-N 119.753 -1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.437 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.625 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -70.22 -29.5 66.34 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.127 -0.983 . . . . 0.0 109.808 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.088 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -58.99 -27.0 64.99 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 177.872 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.625 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.32 -51.29 21.37 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -177.917 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -51.06 -27.98 9.31 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 175.475 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.088 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.21 -44.36 65.53 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.337 177.668 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.797 ' O ' HG13 ' A' ' 11' ' ' VAL . 71.1 t80 -70.56 -23.35 62.59 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.366 -1.459 . . . . 0.0 110.144 179.805 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.534 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.4 t80 -73.64 -36.02 65.36 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.286 -0.883 . . . . 0.0 110.192 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 28.0 t0 -77.79 -33.99 52.37 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.082 -1.011 . . . . 0.0 109.757 179.423 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -29.82 66.67 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.267 -0.896 . . . . 0.0 109.651 179.277 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 7' ' ' PHE . 34.6 m -79.71 -43.04 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.337 -0.852 . . . . 0.0 110.064 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -68.92 -23.35 64.16 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.172 -0.955 . . . . 0.0 109.921 179.585 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 6.5 mm-40 -76.35 -46.69 26.35 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.362 -0.836 . . . . 0.0 110.022 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -66.54 -38.77 87.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.832 . . . . 0.0 110.135 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 3.8 mm? -75.87 -23.4 55.64 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.213 -0.929 . . . . 0.0 109.331 179.25 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -67.65 -46.95 70.95 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.072 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -67.36 -49.51 63.66 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.421 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.67 -73.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.816 -0.553 . . . . 0.0 110.194 178.93 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 4.6 p90 -101.65 169.88 8.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.053 -1.03 . . . . 0.0 110.245 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.732 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 4.6 m-20 -71.48 -28.3 63.84 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.165 -0.96 . . . . 0.0 109.854 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.089 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -60.69 -26.55 67.21 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.89 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.663 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -76.45 -50.86 12.99 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.86 -0.525 . . . . 0.0 109.649 -176.806 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -50.36 -27.95 7.16 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 175.528 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.089 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.53 -45.62 65.16 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.101 176.662 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' LEU . 82.5 t80 -70.56 -20.78 62.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.413 -1.43 . . . . 0.0 110.492 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.653 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.8 t80 -67.9 -56.91 7.29 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.114 -0.991 . . . . 0.0 108.972 179.341 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 10.5 m-20 -66.14 -24.43 66.67 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.249 -0.907 . . . . 0.0 109.269 179.006 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -64.92 -38.08 89.79 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.653 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -71.38 -36.94 63.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.867 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.57 -21.51 65.43 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.544 0.688 . . . . 0.0 109.537 179.312 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -50.3 25.14 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.449 -0.782 . . . . 0.0 109.215 179.468 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -70.58 -23.08 62.53 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.727 -0.789 . . . . 0.0 109.737 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.572 ' HG ' ' CE1' ' A' ' 19' ' ' PHE . 10.5 tp -79.72 -26.97 40.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.346 -0.846 . . . . 0.0 108.76 178.722 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.579 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.2 ttpt -68.5 -50.98 48.16 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.662 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . 8.5 tp10 -52.25 -58.01 7.94 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.828 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.74 -62.73 0.46 Allowed 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.77 178.597 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 11.1 m-30 -34.19 -90.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.311 -0.868 . . . . 0.0 110.992 -179.757 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.277 0 O-C-N 119.558 -1.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.674 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.09 -34.82 49.96 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.183 -0.948 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.114 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -56.33 -26.69 53.26 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.237 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.647 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -75.82 -47.89 23.79 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -177.729 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -50.11 -28.71 7.68 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 174.755 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.114 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.17 -48.5 51.37 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.133 -1.394 . . . . 0.0 110.185 177.417 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -67.31 -19.02 65.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.331 -1.481 . . . . 0.0 110.276 179.761 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.512 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -72.34 -61.13 1.9 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.103 -0.998 . . . . 0.0 110.155 179.78 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 2.7 p30 -62.53 -30.69 71.48 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.0 -1.063 . . . . 0.0 110.637 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 26.8 tttt -66.51 -33.37 75.53 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.115 -0.991 . . . . 0.0 109.027 179.414 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -74.04 -44.27 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.668 179.65 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.494 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -67.05 -23.09 65.85 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.6 -0.687 . . . . 0.0 109.901 179.666 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.546 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 13.4 tt0 -72.66 -44.84 61.32 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.386 -0.821 . . . . 0.0 110.077 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -72.23 -38.37 68.95 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.21 -0.931 . . . . 0.0 111.34 -179.181 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -27.91 62.72 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.874 -1.141 . . . . 0.0 109.963 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -72.5 -32.01 65.82 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.438 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -74.89 -47.72 28.58 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.57 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -42.08 -71.65 0.08 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.781 -0.574 . . . . 0.0 110.003 178.267 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -109.8 158.59 17.98 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.814 -1.179 . . . . 0.0 110.547 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.936 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.624 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -68.66 -24.72 64.56 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.026 -1.046 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.106 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -60.96 -29.46 69.66 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.018 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.652 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.59 -50.97 21.8 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -177.76 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' LEU . 16.5 tttt -51.77 -27.04 10.87 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 104.661 -2.348 . . . . 0.0 104.661 175.236 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.106 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -73.39 -42.12 62.52 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.45 177.883 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 26.1 t80 -71.06 -26.21 62.97 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.332 -1.48 . . . . 0.0 110.102 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.646 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -67.57 -52.41 38.94 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.278 -0.889 . . . . 0.0 109.989 179.853 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -66.03 -35.34 80.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.074 -1.016 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -68.37 -28.88 67.51 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.289 -0.882 . . . . 0.0 109.551 179.618 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -76.99 -37.29 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.704 179.776 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -73.07 -23.0 60.5 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.483 -0.761 . . . . 0.0 109.681 179.211 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -73.57 -46.76 45.42 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.39 -0.819 . . . . 0.0 109.133 179.424 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -30.65 68.5 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.647 179.34 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.4 mt -75.54 -26.0 57.66 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.354 -0.841 . . . . 0.0 109.247 179.127 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.02 -46.14 78.94 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.102 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' ALA . 68.7 mt-10 -66.52 -56.32 11.38 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.322 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -35.11 -60.04 0.48 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.993 -0.442 . . . . 0.0 111.075 179.099 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 10.3 m-30 -34.81 93.97 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.304 -0.872 . . . . 0.0 110.924 -179.701 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.932 -1.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.601 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.44 -21.77 60.37 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.193 -0.942 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.142 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -61.77 -29.98 70.49 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 178.027 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.692 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -76.12 -46.68 27.65 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -178.001 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -52.2 -24.57 7.37 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 175.045 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.142 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.61 -52.66 16.9 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.566 177.912 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.584 ' CD1' ' O ' ' A' ' 7' ' ' PHE . 1.8 t80 -70.28 -36.29 74.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.091 -1.631 . . . . 0.0 110.725 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.45 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -62.26 -57.07 12.75 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 109.746 179.833 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 5.7 t0 -54.88 -40.39 69.7 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.471 -0.768 . . . . 0.0 110.789 -179.369 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -69.84 -27.98 65.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.01 -1.056 . . . . 0.0 109.458 179.657 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -73.99 -44.23 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.366 -0.834 . . . . 0.0 109.267 179.74 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -71.72 -18.1 62.17 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.744 0.783 . . . . 0.0 109.615 179.347 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 19.2 tt0 -73.52 -46.5 47.39 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.665 -0.647 . . . . 0.0 109.674 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -36.77 68.24 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.24 -0.912 . . . . 0.0 110.333 179.838 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 24.7 mt -74.63 -22.92 58.67 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.027 -1.046 . . . . 0.0 109.54 179.533 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 1.6 tppp? -68.84 -45.22 71.68 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.047 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.48 -46.66 63.32 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.217 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.8 -73.85 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.633 -0.667 . . . . 0.0 110.426 178.846 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 2.3 p90 -102.83 -13.7 16.88 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.047 -1.033 . . . . 0.0 110.381 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.537 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.302 -1.493 0 O-C-N 120.015 -1.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.759 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 3.0 t70 -70.28 -28.53 65.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.22 -0.925 . . . . 0.0 109.5 . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.096 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -60.24 -28.22 67.85 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.035 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.662 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.69 -50.77 19.25 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -177.376 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER -51.93 -27.06 11.8 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 175.043 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.096 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -74.05 -39.96 63.16 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.062 177.064 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.503 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 37.2 t80 -71.4 -26.64 62.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.38 -1.45 . . . . 0.0 110.416 179.755 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.503 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.58 -49.18 56.57 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.201 -0.937 . . . . 0.0 108.945 179.41 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -53.57 -49.79 66.96 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.321 178.888 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -68.04 -22.62 64.95 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.368 -0.832 . . . . 0.0 109.382 179.161 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.503 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -66.23 -44.26 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.236 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -69.23 -23.62 63.9 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.452 0.644 . . . . 0.0 109.353 179.051 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.58 -39.22 81.07 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.013 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -33.44 64.52 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.592 -0.692 . . . . 0.0 109.22 179.023 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.748 HD12 ' HE2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -71.85 -27.12 62.68 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.822 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 17.8 tptm -69.23 -52.54 26.75 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.885 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -56.48 -40.25 74.6 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.836 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -48.4 -78.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.81 178.573 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.748 ' HE2' HD12 ' A' ' 15' ' ' LEU . 33.0 p90 -99.93 -36.41 9.4 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.071 -1.018 . . . . 0.0 110.408 179.867 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.604 ' N ' ' CD1' ' A' ' 19' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.829 -1.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.406 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.642 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -24.05 66.45 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.98 -1.075 . . . . 0.0 109.219 . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.083 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -60.4 -29.31 68.88 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 177.753 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.53 -49.79 30.28 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -178.164 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' LEU . 3.7 mmtp -51.68 -27.15 10.73 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 175.193 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.083 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -73.74 -41.29 62.73 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.362 177.64 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.508 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 9.9 t80 -69.34 -26.94 64.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.417 -1.427 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.613 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -70.01 -49.59 49.97 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.106 -0.997 . . . . 0.0 109.855 179.525 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -64.58 -37.23 86.84 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.178 -0.952 . . . . 0.0 110.123 179.814 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -26.43 63.88 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.347 -0.846 . . . . 0.0 109.484 179.843 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -75.84 -40.32 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.272 -0.892 . . . . 0.0 109.79 179.677 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.403 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -76.13 -21.25 56.82 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.266 -0.896 . . . . 0.0 109.638 179.344 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.82 -38.02 62.17 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.548 -0.72 . . . . 0.0 109.861 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -74.06 -41.52 61.62 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.323 -0.861 . . . . 0.0 109.979 179.708 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 10.1 mp -72.37 -24.79 61.32 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.119 -0.988 . . . . 0.0 109.129 179.021 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.604 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 2.6 ttpt -69.98 -48.86 56.54 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.221 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -60.09 -53.78 53.69 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.363 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.42 -64.37 0.43 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.76 -0.587 . . . . 0.0 110.518 178.714 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.9 m-30 -34.73 107.9 0.06 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.358 -0.839 . . . . 0.0 110.664 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.727 -1.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.64 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.34 -28.21 64.96 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.18 -0.95 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.1 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -59.78 -27.63 66.72 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 177.887 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.634 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.09 -51.44 21.53 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -178.025 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' LEU . 21.9 tttt -51.11 -27.65 8.86 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 175.376 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.1 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.7 -46.1 63.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.419 177.846 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.835 ' O ' HG13 ' A' ' 11' ' ' VAL . 61.7 t80 -68.62 -27.82 66.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.25 -1.531 . . . . 0.0 109.874 179.738 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.499 ' C ' HG22 ' A' ' 11' ' ' VAL . 1.5 t80 -71.13 -30.74 66.87 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 179.803 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -80.13 -38.15 32.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.127 -0.983 . . . . 0.0 110.335 179.614 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -70.53 -28.14 64.7 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.183 -0.948 . . . . 0.0 109.468 179.618 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 7' ' ' PHE . 32.7 m -80.45 -46.12 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.347 -0.845 . . . . 0.0 109.835 179.759 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.56 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -66.94 -23.64 65.99 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.205 -0.935 . . . . 0.0 109.717 179.391 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -74.64 -46.11 40.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.41 -0.806 . . . . 0.0 109.598 179.736 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -45.85 88.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.363 -0.836 . . . . 0.0 109.998 179.83 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.577 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mm? -69.88 -24.31 63.39 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.088 -1.008 . . . . 0.0 109.294 179.339 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.56 -45.31 87.62 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.213 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -70.7 -57.26 4.87 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.469 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -33.05 -58.26 0.37 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.417 179.283 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 9.9 m-30 -34.33 115.69 0.27 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.337 -0.852 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 O-C-N 119.837 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.659 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.7 -34.66 60.41 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.15 -0.969 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.131 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -57.38 -26.08 60.49 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.928 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.63 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.22 -50.41 27.65 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -178.002 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 4' ' ' LEU . 21.5 tttt -51.77 -27.17 11.34 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 175.586 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.131 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.58 -48.84 58.84 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.636 177.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.464 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 74.8 t80 -69.58 -29.07 66.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.222 -1.549 . . . . 0.0 110.69 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -39.76 76.62 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.329 -0.857 . . . . 0.0 110.138 179.944 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.67 -42.42 74.19 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.429 -0.795 . . . . 0.0 110.404 -179.866 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -68.03 -27.88 66.91 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.197 179.402 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -76.6 -46.9 30.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.31 -0.868 . . . . 0.0 109.725 179.888 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -66.57 -24.06 66.3 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 109.91 179.487 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.565 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.48 -33.94 60.84 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.268 -0.895 . . . . 0.0 109.64 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' N ' ' HG3' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -71.84 -45.53 61.11 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.054 -1.029 . . . . 0.0 110.223 179.393 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.8 mt -71.96 -23.42 61.44 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.142 -0.974 . . . . 0.0 109.5 179.391 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 10.0 tttp -64.14 -45.46 88.38 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.272 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.4 mm-40 -73.08 -53.99 9.67 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.582 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.99 -57.83 0.37 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 122.134 -0.354 . . . . 0.0 111.368 179.245 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.493 ' HE1' HD22 ' A' ' 15' ' ' LEU . 8.8 m-30 -36.61 -73.08 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.182 -0.949 . . . . 0.0 110.665 -179.767 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.883 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.735 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -35.87 53.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.074 -1.016 . . . . 0.0 110.185 . . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.129 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -58.16 -25.23 61.24 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 178.142 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -76.51 -47.98 20.97 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -177.665 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -49.35 -30.39 7.58 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 104.238 -2.505 . . . . 0.0 104.238 175.185 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.129 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -65.58 -53.68 38.43 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.966 -1.47 . . . . 0.0 108.865 176.435 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.429 ' O ' HG22 ' A' ' 11' ' ' VAL . 11.7 t80 -57.52 -20.7 33.23 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.485 -1.384 . . . . 0.0 109.817 178.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.555 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.92 -37.76 76.03 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.706 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 4.4 t0 -75.04 -27.56 60.09 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.324 -0.86 . . . . 0.0 109.408 178.869 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -30.65 63.36 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.518 -0.739 . . . . 0.0 109.383 179.135 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 16.4 m -78.5 -42.04 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.459 179.515 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -69.83 -24.56 63.47 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.235 -0.916 . . . . 0.0 109.247 178.808 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 75.1 tt0 -74.72 -39.0 62.17 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.572 -0.705 . . . . 0.0 110.256 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' O ' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.37 -52.0 38.03 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.282 -0.886 . . . . 0.0 109.936 179.807 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -28.02 69.65 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.937 -1.102 . . . . 0.0 108.514 178.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -63.1 -42.42 99.58 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.567 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' ALA . 35.8 mt-10 -65.58 -57.45 8.15 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.204 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.17 -58.42 0.31 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.034 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.0 m-30 -38.59 150.9 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.101 -0.999 . . . . 0.0 110.545 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.847 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -23.77 64.83 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.122 -0.986 . . . . 0.0 109.674 . . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.154 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -60.01 -28.82 68.04 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.746 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -74.5 -46.38 39.79 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.063 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.6 -27.94 12.67 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 104.519 -2.401 . . . . 0.0 104.519 174.943 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.154 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.91 -45.81 59.87 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.862 177.402 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.477 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -59.63 -30.24 68.57 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.578 -1.326 . . . . 0.0 110.054 179.418 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -43.38 72.14 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.341 -0.849 . . . . 0.0 109.878 179.764 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -60.28 -53.57 56.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.271 -0.893 . . . . 0.0 110.283 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -22.19 65.83 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.33 -0.856 . . . . 0.0 109.591 179.797 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -69.93 -50.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 119.512 -0.875 . . . . 0.0 108.736 179.296 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -67.33 -23.56 65.63 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.63 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -66.96 -34.4 77.67 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.105 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -69.35 -45.89 68.3 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.535 179.265 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 5.8 mt -69.13 -25.15 64.24 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.158 -0.964 . . . . 0.0 109.316 179.303 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 12.4 tptt -67.39 -47.93 68.88 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.562 -0.711 . . . . 0.0 109.121 179.448 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.4 tt0 -64.85 -51.33 62.62 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.568 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.71 -70.06 0.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.317 178.748 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 13.5 p90 -107.42 -160.17 0.72 Allowed 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.96 -1.087 . . . . 0.0 110.325 179.678 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.276 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.698 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -31.39 65.84 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.247 -0.908 . . . . 0.0 110.063 . . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.138 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -59.14 -25.67 64.08 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.842 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.634 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.89 -50.78 18.62 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -177.815 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.07 -27.4 13.73 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 175.835 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.138 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -64.68 -55.69 18.48 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.034 177.087 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.409 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 11.1 t80 -65.14 -11.99 46.12 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.335 -1.478 . . . . 0.0 108.865 178.461 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.622 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.83 -38.25 67.2 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 178.82 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -70.16 -37.03 75.11 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.857 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -68.99 -29.13 67.27 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.884 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -77.33 -38.21 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.371 -0.83 . . . . 0.0 109.837 179.732 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.29 -23.52 61.19 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 179.078 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -74.02 -44.04 55.85 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.547 -0.721 . . . . 0.0 109.406 179.548 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -73.62 -28.27 61.72 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.428 -0.795 . . . . 0.0 110.018 179.729 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -76.92 -27.93 55.09 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.4 179.295 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -48.04 69.39 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.183 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.5 mm-40 -62.26 -52.64 62.9 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.957 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.96 -63.14 0.39 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.974 -0.454 . . . . 0.0 111.075 179.156 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CE1' HD12 ' A' ' 15' ' ' LEU . 6.2 m-30 -36.88 135.52 0.44 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.318 -0.864 . . . . 0.0 110.527 -179.685 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.77 -1.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.664 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -74.69 -34.25 62.61 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.159 -0.963 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.102 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -57.53 -26.01 60.73 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 177.88 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.626 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.24 -49.77 26.0 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -177.736 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.5 -27.93 12.02 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 104.547 -2.39 . . . . 0.0 104.547 175.368 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.102 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.46 -46.63 63.42 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.439 177.665 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.502 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 37.8 t80 -69.15 -23.14 63.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.29 -1.506 . . . . 0.0 110.138 179.874 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.53 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -68.51 -47.63 66.48 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.273 -0.892 . . . . 0.0 110.197 179.805 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.77 -35.09 76.63 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.154 -0.966 . . . . 0.0 110.338 -179.894 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -26.27 62.13 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.145 -0.972 . . . . 0.0 109.859 179.753 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -77.75 -42.97 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.221 -0.924 . . . . 0.0 109.67 179.736 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -73.23 -21.84 60.56 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.299 -0.876 . . . . 0.0 109.239 178.998 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.71 -42.06 64.58 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.566 -0.709 . . . . 0.0 109.412 179.433 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -70.32 -39.74 74.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.485 -0.759 . . . . 0.0 109.973 179.716 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -70.32 -26.02 63.58 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.207 -0.933 . . . . 0.0 109.547 179.332 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -70.29 -51.51 29.86 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.697 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 28.1 mt-10 -58.24 -48.5 80.2 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.33 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.2 -77.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.796 -0.565 . . . . 0.0 110.21 178.882 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 41.6 p90 -108.04 163.22 13.33 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.095 -1.003 . . . . 0.0 110.356 -179.844 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.248 0 O-C-N 119.75 -1.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.403 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.218 -0.594 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -32.95 70.98 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.059 -1.026 . . . . 0.0 109.859 . . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.063 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -59.74 -26.05 65.34 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.276 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.618 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.96 -54.05 11.15 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -177.334 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -52.93 -26.5 15.23 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 175.659 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.063 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.05 -41.66 70.47 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.451 177.663 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.475 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 10.6 t80 -70.2 -26.61 63.96 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.215 -1.553 . . . . 0.0 109.758 179.715 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -37.78 74.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.333 -0.854 . . . . 0.0 109.494 179.385 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.98 -40.69 68.41 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.416 -0.802 . . . . 0.0 110.298 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -27.52 65.89 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.287 -0.883 . . . . 0.0 108.967 179.221 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -74.78 -49.24 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 O-C-N 121.364 -0.835 . . . . 0.0 108.901 179.382 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.515 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -63.22 -23.11 67.28 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.081 178.963 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -67.82 -46.61 71.37 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.796 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.13 -36.08 82.41 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.343 179.061 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.86 HD12 ' HE2' ' A' ' 19' ' ' PHE . 1.8 mm? -78.27 -21.22 50.14 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.523 -0.736 . . . . 0.0 109.406 179.317 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -68.75 -57.07 6.15 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.011 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.0 tt0 -60.96 -43.68 98.38 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.055 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -40.61 -73.33 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.102 178.75 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.86 ' HE2' HD12 ' A' ' 15' ' ' LEU . 1.1 p90 -98.19 33.77 2.11 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.903 -1.123 . . . . 0.0 110.275 179.824 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.75 -1.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.6 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -26.0 65.74 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.176 -0.953 . . . . 0.0 109.687 . . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.107 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -60.2 -28.08 67.68 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.759 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.642 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -72.93 -50.23 24.77 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -177.957 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.34 -27.44 9.73 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 175.305 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.107 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.47 -47.26 61.46 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.271 177.805 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 11' ' ' VAL . 26.4 t80 -67.05 -24.56 65.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.309 -1.494 . . . . 0.0 109.917 179.737 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -62.57 1.46 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.318 -0.864 . . . . 0.0 110.554 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.81 -40.65 89.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 0.0 110.76 -179.496 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -68.05 -24.2 65.05 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.035 -1.041 . . . . 0.0 109.665 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.6 t -76.44 -41.06 35.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 O-C-N 121.405 -0.81 . . . . 0.0 109.715 179.695 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.34 -22.44 61.91 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.379 -0.825 . . . . 0.0 110.016 179.647 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -75.24 -48.98 20.8 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.342 -0.849 . . . . 0.0 109.444 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -31.58 71.78 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.494 -0.754 . . . . 0.0 109.627 179.521 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 4.9 mt -75.01 -27.36 60.09 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.377 -0.827 . . . . 0.0 108.994 179.033 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 50.5 tptt -64.7 -43.75 92.48 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.096 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.5 mt-10 -68.77 -57.18 5.99 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.412 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -34.8 -59.7 0.47 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.97 -0.456 . . . . 0.0 111.216 179.218 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 12.9 m-85 -36.01 -30.66 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.182 -0.949 . . . . 0.0 110.716 -179.848 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.508 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.654 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.84 -27.43 62.88 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.134 -0.979 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.096 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -60.42 -28.74 68.5 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 177.846 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.657 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.76 -50.14 32.71 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -178.216 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -51.98 -27.05 12.03 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 175.22 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.096 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.51 -47.23 61.48 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.595 177.984 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -68.42 -21.56 64.66 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.184 -1.572 . . . . 0.0 110.157 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.732 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -70.14 -71.22 0.25 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.21 -0.931 . . . . 0.0 109.289 179.042 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -49.79 -32.49 14.09 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.074 -1.016 . . . . 0.0 108.7 178.713 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 20.7 mttm -66.06 -32.26 73.62 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.687 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.847 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -69.92 -34.11 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.194 179.562 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.1 -24.68 60.67 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.986 179.448 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -45.03 46.81 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 121.265 -0.897 . . . . 0.0 109.646 179.723 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -70.59 -35.12 72.85 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.313 -0.867 . . . . 0.0 109.938 179.672 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.847 HD13 ' O ' ' A' ' 11' ' ' VAL . 4.8 mp -68.69 -31.02 69.82 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.464 -0.773 . . . . 0.0 109.065 179.243 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 4.3 tptp -68.32 -46.3 70.61 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.182 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 tt0 -57.66 -63.05 1.37 Allowed 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.338 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.17 -59.79 0.42 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 122.059 -0.401 . . . . 0.0 111.116 179.22 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.9 m-30 -37.5 -42.06 0.49 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.28 -0.887 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.965 -1.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.733 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -87.69 -49.29 7.24 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.114 -0.991 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.15 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.5 p-90 -54.43 -25.19 23.48 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 178.295 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.65 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.99 -47.97 26.52 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -177.885 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -50.75 -28.68 9.68 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 104.504 -2.406 . . . . 0.0 104.504 175.25 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.15 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -68.1 -53.06 28.17 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.275 -1.329 . . . . 0.0 109.343 176.909 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.494 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 51.8 t80 -57.88 -20.4 36.49 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.357 -1.464 . . . . 0.0 108.793 178.695 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.14 -51.44 53.9 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.548 0.69 . . . . 0.0 109.697 179.447 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -58.52 -52.16 66.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.869 . . . . 0.0 110.207 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 50.9 mttm -61.06 -26.41 67.62 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.214 -0.929 . . . . 0.0 108.676 179.395 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -66.6 -39.79 84.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.63 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.22 -23.79 64.85 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 120.075 -0.65 . . . . 0.0 109.667 179.204 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 1.8 mm-40 -68.02 -46.41 71.31 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.039 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 66.2 tttt -64.06 -38.26 90.41 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.001 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.568 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -76.9 -19.98 56.78 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.392 -0.818 . . . . 0.0 109.467 179.018 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -67.47 -48.9 65.81 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.501 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.551 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 13.7 pt-20 -72.33 -45.04 61.66 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.318 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 17' ' ' GLU . . . -40.34 -63.85 0.58 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.661 -0.649 . . . . 0.0 110.656 178.814 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 9.3 m-85 -29.71 -53.02 0.14 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.619 -0.676 . . . . 0.0 111.128 -179.799 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.005 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.587 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.75 -27.27 62.87 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.127 -0.983 . . . . 0.0 109.928 . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.145 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -59.6 -27.91 66.71 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 177.866 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.642 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.01 -49.48 28.65 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -178.153 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 4' ' ' LEU . 34.8 tttp -51.03 -27.82 8.75 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 104.866 -2.272 . . . . 0.0 104.866 175.282 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.145 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.65 -50.54 35.71 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.74 177.965 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.578 ' CE2' ' CG2' ' A' ' 11' ' ' VAL . 61.1 t80 -70.85 -15.46 62.64 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.278 -1.514 . . . . 0.0 109.709 179.85 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.41 -59.53 2.93 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.545 -0.722 . . . . 0.0 109.857 179.829 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -57.69 -44.94 86.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.287 -0.883 . . . . 0.0 110.216 179.879 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -63.97 -26.79 68.74 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.202 -0.936 . . . . 0.0 109.142 179.582 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.578 ' CG2' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -70.89 -39.63 75.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.542 -0.724 . . . . 0.0 109.182 179.488 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -68.13 -24.35 65.0 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.528 -0.732 . . . . 0.0 110.215 179.951 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' OE1' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.2 -45.31 49.12 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.236 -0.915 . . . . 0.0 109.847 -179.984 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HA ' ' CE ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.43 -37.72 80.53 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.393 -0.817 . . . . 0.0 110.444 -179.778 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 15' ' ' LEU . 3.2 mm? -74.06 -25.59 59.92 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.127 -0.983 . . . . 0.0 109.17 179.129 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 2.2 ttmm -65.66 -44.19 87.08 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.272 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.1 tt0 -69.06 -53.29 21.18 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.358 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.89 -60.14 0.46 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 122.104 -0.372 . . . . 0.0 111.095 179.078 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.477 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.7 m-30 -34.76 118.72 0.43 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.252 -0.905 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.618 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.23 -30.97 63.86 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.113 -0.992 . . . . 0.0 109.77 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.114 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -58.98 -26.88 64.87 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.689 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.97 -51.3 22.66 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -177.915 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' LEU . 8.4 mtpm? -51.82 -27.03 11.13 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 104.932 -2.247 . . . . 0.0 104.932 175.475 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.114 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.83 -47.21 63.61 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.539 177.986 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 53.6 t80 -68.75 -19.98 64.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.198 -1.564 . . . . 0.0 110.258 179.752 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.796 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -69.43 -58.88 3.43 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.127 -0.983 . . . . 0.0 109.355 179.496 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 1.4 m-20 -54.14 -40.38 67.35 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.181 -0.949 . . . . 0.0 109.264 179.196 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -30.63 71.65 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.887 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -67.67 -34.64 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.408 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.56 61.32 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.746 0.784 . . . . 0.0 109.22 178.954 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.77 -38.88 67.17 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.527 -0.733 . . . . 0.0 109.615 179.393 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -77.51 -36.48 52.52 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.04 -179.525 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -76.0 -25.51 55.84 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.914 -1.116 . . . . 0.0 109.493 179.491 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -49.15 57.25 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.736 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' O ' ' OE2' ' A' ' 17' ' ' GLU . 5.7 tp10 -64.77 -47.0 79.76 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.012 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.49 -63.77 0.48 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.93 -0.481 . . . . 0.0 110.958 179.091 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.5 m-85 -34.86 -70.39 0.08 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.178 -0.951 . . . . 0.0 110.895 -179.618 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.753 -1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.418 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -71.72 -33.44 68.73 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.23 -0.919 . . . . 0.0 109.889 . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.107 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.7 p-90 -57.27 -26.27 60.56 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 177.942 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.634 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.61 -51.04 21.31 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -177.802 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.6 tmtm? -51.4 -27.64 10.58 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 104.731 -2.322 . . . . 0.0 104.731 175.411 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.107 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.12 -45.42 63.66 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.376 177.662 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.508 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 35.4 t80 -70.73 -21.61 62.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.293 -1.505 . . . . 0.0 109.984 179.689 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.636 ' O ' HG12 ' A' ' 11' ' ' VAL . 12.0 t80 -67.54 -61.46 1.89 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.295 -0.878 . . . . 0.0 109.933 179.727 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.37 -32.45 71.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.101 -1.0 . . . . 0.0 109.97 179.815 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -69.53 -28.68 66.23 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.325 -0.859 . . . . 0.0 109.582 179.545 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.705 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -77.46 -37.28 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.433 -0.792 . . . . 0.0 109.85 179.855 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -73.84 -23.01 59.57 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.372 -0.83 . . . . 0.0 109.787 179.584 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -75.81 -46.51 30.19 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.421 -0.799 . . . . 0.0 109.747 179.885 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -70.33 -34.67 72.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.371 -0.83 . . . . 0.0 109.885 179.731 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.705 HD13 ' O ' ' A' ' 11' ' ' VAL . 6.9 mp -76.21 -23.79 54.63 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.307 -0.87 . . . . 0.0 109.593 179.42 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 1.6 tttt -68.25 -49.19 62.31 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.552 -0.906 . . . . 0.0 108.552 179.265 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.9 tt0 -65.53 -50.72 64.16 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.404 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.99 -73.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.723 -0.61 . . . . 0.0 110.254 178.991 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 40.1 p90 -108.86 38.74 2.19 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.948 -1.095 . . . . 0.0 110.387 -179.917 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.477 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.685 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 4' ' ' LEU . 9.6 t70 -84.89 -45.7 12.0 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.268 -0.895 . . . . 0.0 110.398 . . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.162 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -56.4 -21.42 24.95 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 177.576 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.596 ' HG ' ' NE1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.34 -48.42 34.46 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -178.585 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 4' ' ' LEU . 22.4 tttt -51.05 -27.97 9.21 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 175.247 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.162 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -67.23 -56.24 10.68 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.015 177.197 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CE1' HG23 ' A' ' 11' ' ' VAL . 20.6 t80 -60.74 -18.68 56.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.25 -1.531 . . . . 0.0 109.568 179.327 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.421 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 4.6 t80 -71.04 -61.18 1.86 Allowed 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.502 -0.749 . . . . 0.0 109.677 179.252 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 6.0 m-20 -54.31 -42.53 70.22 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.288 -0.883 . . . . 0.0 109.404 179.345 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 13' ' ' GLU . 46.9 mtpt -69.04 -23.98 64.13 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.485 -0.759 . . . . 0.0 109.478 179.224 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.523 HG23 ' CE1' ' A' ' 7' ' ' PHE . 1.1 t -66.91 -48.03 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.501 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.474 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -68.23 -25.76 65.36 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.224 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -67.79 -26.57 66.15 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.277 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -78.01 -41.9 34.29 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.637 -0.664 . . . . 0.0 109.418 179.139 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.583 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -58.92 -36.12 74.21 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.765 -1.21 . . . . 0.0 107.751 178.417 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 1.8 tmtt? -60.73 -45.03 95.84 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.621 0.724 . . . . 0.0 109.291 179.301 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.4 tt0 -70.98 -67.67 0.49 Allowed 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.06 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -22.15 -59.67 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 120.869 0.366 . . . . 0.0 111.665 178.906 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 8.9 p90 -117.29 -21.94 8.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.759 -1.213 . . . . 0.0 110.539 179.919 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.522 ' N ' ' CD1' ' A' ' 19' ' ' PHE . . . . . . . . 0 C--N 1.302 -1.488 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.59 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -71.64 -26.31 62.5 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.26 -0.9 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.114 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -61.64 -28.32 69.29 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.158 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.68 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -74.75 -51.36 14.39 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -177.076 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -50.31 -28.5 7.99 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 175.694 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.114 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -67.43 -50.16 60.54 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.317 -1.31 . . . . 0.0 110.204 177.263 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.502 ' CE1' ' CG2' ' A' ' 11' ' ' VAL . 12.1 t80 -66.57 -42.91 86.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.329 -1.482 . . . . 0.0 110.415 179.856 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -30.15 60.69 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.1 -1.0 . . . . 0.0 109.964 179.747 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -80.39 -42.9 21.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.28 -0.888 . . . . 0.0 111.682 -179.195 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -30.27 71.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.332 179.875 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.502 ' CG2' ' CE1' ' A' ' 7' ' ' PHE . 7.7 t -78.69 -46.85 24.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.505 -0.747 . . . . 0.0 109.797 179.79 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -62.48 -22.9 66.6 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.302 -0.874 . . . . 0.0 109.437 179.414 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.09 -46.87 55.1 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.543 -0.723 . . . . 0.0 109.085 179.301 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -45.95 91.47 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.265 179.619 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mp -63.99 -29.44 70.6 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.006 -1.059 . . . . 0.0 108.917 179.219 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 2.3 tttp -63.12 -41.49 99.34 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.952 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -67.33 -57.84 5.89 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.62 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.92 -65.72 0.21 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.955 179.535 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 2.8 p90 -112.1 155.28 24.13 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.726 -1.234 . . . . 0.0 110.58 179.886 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.263 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.456 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.646 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -75.28 -32.94 61.19 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.004 -1.06 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.161 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -57.81 -23.97 55.11 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 177.589 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.588 ' HG ' ' NE1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.52 -47.16 34.62 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -178.58 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.2 ttpp -50.88 -28.14 8.95 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 104.5 -2.407 . . . . 0.0 104.5 175.021 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.161 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.19 -53.0 22.26 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.304 177.732 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.78 ' O ' HG13 ' A' ' 11' ' ' VAL . 28.9 t80 -67.89 -18.42 64.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.407 -1.433 . . . . 0.0 110.42 179.932 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.468 ' HA ' ' CG2' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -78.54 -30.09 46.76 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.07 -1.019 . . . . 0.0 110.428 -179.861 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -81.41 -37.01 28.81 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.071 -1.018 . . . . 0.0 110.101 179.672 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.86 -29.04 65.05 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.291 -0.881 . . . . 0.0 109.589 179.423 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 7' ' ' PHE . 34.2 m -80.6 -47.33 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.362 -0.836 . . . . 0.0 110.004 179.667 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.575 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -66.0 -23.39 66.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.769 179.304 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.01 -45.69 40.13 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.519 -0.738 . . . . 0.0 109.521 179.652 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -68.78 -28.81 67.12 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.336 -0.853 . . . . 0.0 110.127 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -80.01 -26.82 39.67 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.353 -0.842 . . . . 0.0 109.148 179.072 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 12.3 mttt -62.16 -46.13 90.36 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.205 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' ALA . 28.5 mm-40 -71.33 -52.12 20.51 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.342 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.81 -59.06 0.35 Allowed 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.307 179.383 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 6.3 m-30 -35.87 126.18 0.71 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.303 -0.873 . . . . 0.0 110.561 -179.624 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.968 -1.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.487 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.706 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 3' ' ' TRP . 6.9 p30 -70.83 -32.27 69.27 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.163 -0.961 . . . . 0.0 109.893 . . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.105 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.9 p-90 -57.99 -26.25 62.12 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 177.808 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.625 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.52 -50.77 28.14 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -178.26 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -51.04 -28.32 9.96 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 175.345 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.105 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.53 -45.22 65.96 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.246 177.815 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.517 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 21.2 t80 -62.42 -24.14 67.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.055 -1.653 . . . . 0.0 109.363 179.178 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.601 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -72.51 -38.38 68.11 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.392 -0.818 . . . . 0.0 109.974 179.668 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 6.5 m-20 -72.77 -37.06 67.75 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.096 -1.002 . . . . 0.0 110.306 -179.927 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -25.09 58.03 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.139 -0.976 . . . . 0.0 109.568 179.405 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -77.76 -37.86 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.06 -1.025 . . . . 0.0 108.746 178.932 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.5 -25.21 61.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.286 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -33.65 66.54 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.336 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -70.04 -43.69 70.77 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.64 -0.663 . . . . 0.0 109.63 179.363 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 12.3 mt -69.26 -27.45 65.45 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.161 -0.962 . . . . 0.0 108.875 178.936 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.15 -44.84 82.98 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.403 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . 18.0 tt0 -66.41 -50.9 61.87 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.313 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.15 -70.12 0.11 Allowed 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.554 178.993 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.451 ' O ' ' O ' ' A' ' 16' ' ' LYS . 4.0 p90 -108.14 172.01 7.08 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.101 -1.0 . . . . 0.0 110.551 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 119.946 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.712 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -68.38 -23.7 64.69 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.263 -0.898 . . . . 0.0 109.809 . . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.129 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -61.5 -28.14 69.1 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 177.914 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.671 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -76.61 -45.79 28.72 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -178.169 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 4' ' ' LEU . 3.2 ttpt -50.14 -29.35 8.98 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 104.242 -2.503 . . . . 0.0 104.242 174.872 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.129 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.05 -50.98 43.65 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.173 176.59 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.648 ' CE1' HG21 ' A' ' 11' ' ' VAL . 32.4 t80 -59.39 -22.96 62.18 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.529 -1.357 . . . . 0.0 109.368 178.936 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -71.89 -36.64 70.11 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.54 -0.725 . . . . 0.0 109.928 179.724 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -51.16 22.58 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.358 -0.839 . . . . 0.0 110.024 179.732 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -30.74 66.15 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.965 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.648 HG21 ' CE1' ' A' ' 7' ' ' PHE . 2.1 t -71.49 -47.85 56.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 178.569 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' VAL . . . -43.18 -37.31 2.04 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.257 -0.902 . . . . 0.0 109.795 179.353 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 74.7 mt-10 -71.55 -41.91 68.52 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.288 -0.883 . . . . 0.0 109.424 179.119 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -66.79 -61.25 2.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.454 -0.779 . . . . 0.0 110.755 179.837 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.592 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 1.3 tp -56.92 -27.14 60.56 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.929 -1.107 . . . . 0.0 109.048 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 13.6 ttpt -62.61 -46.28 89.01 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.232 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -67.31 -62.28 1.5 Allowed 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 178.542 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -31.27 -58.27 0.24 Allowed 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.682 179.066 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 15.3 m-30 -35.96 -93.59 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.309 -0.87 . . . . 0.0 110.9 -179.406 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.673 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.693 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -67.24 -28.3 67.94 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.051 -1.031 . . . . 0.0 109.318 . . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.082 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.5 p-90 -60.41 -27.97 67.89 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 178.056 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.636 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -72.3 -53.22 13.07 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -177.366 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.7 mmpt? -52.55 -26.91 14.56 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 175.387 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.082 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.28 -42.37 68.81 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.191 177.496 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 1.8 t80 -68.89 -22.33 64.19 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.298 -1.501 . . . . 0.0 109.244 179.454 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -43.44 78.83 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.526 -0.734 . . . . 0.0 109.114 179.08 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -62.04 -52.84 62.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.541 -0.724 . . . . 0.0 110.308 179.816 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -59.4 -29.37 67.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.971 -1.081 . . . . 0.0 108.367 179.16 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.2 t -64.92 -40.02 87.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.965 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.87 -20.47 61.1 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.698 0.761 . . . . 0.0 109.484 178.941 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -67.24 -42.58 83.76 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.37 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -72.5 -36.07 68.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.503 -0.748 . . . . 0.0 109.919 179.51 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD23 ' HE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -66.96 -30.15 70.2 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.169 -0.957 . . . . 0.0 108.861 178.823 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' PHE . 6.3 mttt -66.14 -42.18 89.42 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.446 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' ALA . 24.2 tp10 -65.48 -56.17 13.91 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.748 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.09 -69.79 0.11 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.937 -0.477 . . . . 0.0 110.522 179.166 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.472 ' O ' ' O ' ' A' ' 16' ' ' LYS . 2.9 p90 -106.54 -164.7 1.02 Allowed 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.803 -1.185 . . . . 0.0 110.465 -179.936 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 119.743 -1.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.683 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -67.05 -24.59 66.0 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.121 -0.987 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.11 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -61.48 -28.86 69.59 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 178.093 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.655 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.77 -50.99 15.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -177.539 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.5 mttp -51.6 -25.41 6.89 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 175.235 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.11 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -73.55 -45.03 55.97 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.354 177.462 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 9.7 t80 -70.78 -28.58 64.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.487 -1.383 . . . . 0.0 110.647 -179.845 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.707 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -65.48 -66.17 0.58 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.305 -0.872 . . . . 0.0 110.208 179.821 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -52.58 -39.04 61.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 110.37 -179.736 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 3.1 mttp -66.37 -29.18 69.3 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.18 -0.95 . . . . 0.0 109.414 179.826 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -73.59 -34.58 42.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.799 179.745 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -72.67 -23.9 60.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 110.178 179.617 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -77.19 -47.94 18.95 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.232 -0.917 . . . . 0.0 110.212 -179.655 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -69.16 -37.81 78.42 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.36 -0.837 . . . . 0.0 110.289 -179.718 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.807 HD22 ' CE1' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -76.14 -24.72 54.89 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.236 -0.915 . . . . 0.0 109.383 179.224 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.9 tppp? -67.38 -45.69 75.5 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.115 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -65.84 -50.76 63.43 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.988 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.43 -60.63 0.57 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.783 178.77 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.807 ' CE1' HD22 ' A' ' 15' ' ' LEU . 14.9 m-85 -36.63 128.63 0.81 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.069 -1.02 . . . . 0.0 110.585 -179.922 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.423 0 O-C-N 119.948 -1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.428 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.696 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.42 -38.21 42.0 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.156 -0.965 . . . . 0.0 110.218 . . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.142 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.6 p-90 -55.31 -23.15 21.98 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 177.674 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.582 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.74 -49.03 27.54 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -178.499 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.2 tppt? -50.71 -28.52 9.24 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 104.6 -2.371 . . . . 0.0 104.6 175.144 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.142 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -68.79 -50.75 47.71 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.768 177.396 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -63.13 -18.59 63.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.378 -1.451 . . . . 0.0 109.391 179.087 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.535 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.8 t80 -70.13 -48.28 58.18 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.137 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 18.3 t0 -70.42 -26.75 63.82 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.221 -0.924 . . . . 0.0 109.337 179.066 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -29.33 62.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.835 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -71.89 -44.29 67.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.617 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -68.26 -23.88 64.82 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.152 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -71.39 -31.06 66.86 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.948 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -49.78 47.08 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.79 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 3.6 mm? -65.84 -27.66 68.4 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.223 -0.923 . . . . 0.0 108.639 178.47 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 24.3 ttmt -65.06 -41.85 94.74 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.259 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 18' ' ' ALA . 17.0 tp10 -69.07 -60.48 2.32 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 178.655 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -33.47 -58.03 0.41 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.956 -0.465 . . . . 0.0 111.131 179.154 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 12.1 m-30 -37.84 -54.09 1.27 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.015 -1.053 . . . . 0.0 110.64 -179.967 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.841 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.622 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 1.3 m-20 -70.29 -28.01 64.86 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.153 -0.967 . . . . 0.0 109.851 . . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.108 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -60.89 -27.14 67.94 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 178.053 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.649 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.54 -51.77 15.83 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -177.818 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 4' ' ' LEU . 8.9 mtmt -52.41 -26.5 12.77 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 175.478 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.108 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -68.7 -49.61 57.56 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.203 177.726 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -65.51 -20.8 66.49 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.231 -1.543 . . . . 0.0 109.532 179.348 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -37.84 70.58 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.45 -0.781 . . . . 0.0 109.873 179.433 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -69.66 -49.77 50.39 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.324 -0.86 . . . . 0.0 110.003 179.807 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -61.37 -28.14 69.02 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.28 -0.887 . . . . 0.0 108.663 179.354 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -76.07 -38.44 35.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.088 179.817 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.59 -25.51 64.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.274 -0.891 . . . . 0.0 109.904 179.29 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.52 -43.16 60.66 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.384 -0.822 . . . . 0.0 109.029 179.54 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -72.16 -27.27 62.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.46 -0.775 . . . . 0.0 110.211 179.723 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.611 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 23.7 tp -77.67 -28.92 51.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.265 -0.897 . . . . 0.0 108.966 179.238 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 17.6 tttt -70.76 -54.06 13.13 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.995 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' ALA . 21.2 tp10 -56.68 -44.68 81.68 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.59 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -39.73 -65.66 0.37 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.58 178.667 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CZ ' ' HG ' ' A' ' 15' ' ' LEU . 17.8 m-85 -31.21 -38.51 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.499 -0.751 . . . . 0.0 111.092 -179.671 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.683 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 6.4 m-20 -74.31 -31.37 62.45 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.261 -0.899 . . . . 0.0 110.104 . . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.102 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -57.49 -27.21 62.33 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.934 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.657 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -74.97 -49.11 21.06 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -177.482 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' LEU . 59.7 mttm -51.44 -27.11 9.34 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 104.726 -2.324 . . . . 0.0 104.726 175.335 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.102 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.41 -46.48 60.1 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.193 177.389 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 58.3 t80 -73.02 -19.04 61.27 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.577 -1.327 . . . . 0.0 110.057 179.859 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.516 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -75.62 -35.92 60.37 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.191 -0.943 . . . . 0.0 108.775 179.132 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 66.5 m-20 -71.46 -36.97 71.38 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.505 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -28.93 66.64 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.509 -0.744 . . . . 0.0 109.062 178.794 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -75.46 -42.69 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.367 179.625 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -68.18 -24.79 65.0 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.438 -0.789 . . . . 0.0 109.278 179.016 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 27.8 mm-40 -72.92 -39.83 65.96 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.594 -0.691 . . . . 0.0 109.415 179.401 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -68.84 -40.61 79.34 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.323 -0.861 . . . . 0.0 109.679 179.548 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.594 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 35.2 mt -71.35 -27.33 63.29 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.343 -0.848 . . . . 0.0 109.021 179.055 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 0.6 OUTLIER -67.44 -40.91 85.45 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.626 0.727 . . . . 0.0 109.068 179.622 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 18' ' ' ALA . 6.9 tt0 -71.65 -55.06 8.45 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.651 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -39.16 -70.64 0.1 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.768 -0.583 . . . . 0.0 110.811 179.273 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 17.9 p90 -107.02 -11.31 15.69 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.799 -1.188 . . . . 0.0 110.491 -179.675 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.533 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.302 -1.498 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.599 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -68.31 -21.86 64.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.119 -0.988 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.103 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -61.54 -30.04 70.4 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.777 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.659 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -73.74 -48.73 29.71 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -178.196 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -50.62 -28.28 8.5 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 104.527 -2.397 . . . . 0.0 104.527 174.961 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.103 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.6 -47.85 58.12 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.073 177.32 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 2.0 t80 -67.73 -19.06 65.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.355 -1.466 . . . . 0.0 109.702 179.369 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.557 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.2 t80 -71.16 -41.41 70.42 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.187 -0.945 . . . . 0.0 108.729 179.023 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.69 -37.46 82.33 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.292 -0.88 . . . . 0.0 109.361 179.177 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -71.77 -25.24 61.95 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.387 -0.821 . . . . 0.0 109.189 179.151 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -73.18 -42.92 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.393 -0.817 . . . . 0.0 108.925 179.349 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -70.6 -20.66 62.74 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 178.992 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 4.9 tp10 -71.76 -43.66 65.37 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.366 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -40.73 77.78 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.48 -0.763 . . . . 0.0 109.414 179.152 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 4.5 mp -68.46 -28.31 66.93 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.588 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 4.7 ttmt -67.59 -38.2 83.67 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.337 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -70.61 -54.37 12.28 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.408 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.9 -73.77 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.865 -0.522 . . . . 0.0 110.201 178.894 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 17.4 p90 -108.87 -10.76 15.08 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.925 -1.109 . . . . 0.0 110.636 -179.611 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.532 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.303 -1.432 0 O-C-N 119.782 -1.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.709 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -72.55 -28.06 62.6 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.11 -0.994 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.117 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -60.3 -26.44 66.52 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.686 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.71 -46.97 34.11 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -177.898 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 4' ' ' LEU . 3.6 mtmt -51.69 -26.81 9.97 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 175.351 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.117 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.32 -56.25 7.17 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.032 178.227 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 11' ' ' VAL . 27.4 t80 -71.44 -14.39 62.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.238 -1.539 . . . . 0.0 110.788 -179.53 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -75.54 -46.8 29.93 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.136 -0.978 . . . . 0.0 110.022 -179.905 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -65.47 -43.33 90.61 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.375 -0.828 . . . . 0.0 110.277 -179.894 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.44 ' HA ' ' CD ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -62.37 -31.84 72.55 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.034 -1.041 . . . . 0.0 108.634 179.161 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.5 t -68.27 -39.5 81.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.01 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -65.31 -28.23 69.17 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.522 -0.736 . . . . 0.0 109.355 178.797 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.44 ' CD ' ' HA ' ' A' ' 10' ' ' LYS . 9.9 mt-10 -66.41 -38.0 86.49 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.109 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -45.82 74.41 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.514 -0.741 . . . . 0.0 109.614 179.056 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.529 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -66.48 -26.2 67.07 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.218 -0.926 . . . . 0.0 109.1 179.144 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.62 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.58 -46.18 76.84 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.979 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.5 mm-40 -61.33 -60.04 4.35 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.168 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.42 -58.58 0.48 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.052 178.972 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 -37.45 -32.88 0.06 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.189 -0.944 . . . . 0.0 110.673 -179.974 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.425 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.789 -1.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.673 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.82 -33.06 70.31 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.243 -0.911 . . . . 0.0 109.819 . . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.106 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.5 p-90 -57.81 -26.82 62.48 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 178.078 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.745 HD23 ' CD2' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -73.19 -50.32 23.18 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -178.074 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.73 -26.97 10.5 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 175.204 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.106 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.77 -46.8 57.18 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.76 178.128 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.745 ' CD2' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -73.14 -18.48 61.28 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 120.309 -1.495 . . . . 0.0 109.949 -179.917 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -76.15 -57.37 3.91 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.286 -0.884 . . . . 0.0 110.36 -179.953 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.82 -42.24 83.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.138 -0.976 . . . . 0.0 110.391 -179.721 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -67.82 -27.26 66.57 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.2 -0.937 . . . . 0.0 109.34 179.754 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.531 HG21 ' CE1' ' A' ' 7' ' ' PHE . 1.3 t -76.97 -50.62 20.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.441 -0.787 . . . . 0.0 109.603 179.771 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -61.17 -24.44 66.31 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.442 -0.786 . . . . 0.0 109.653 179.556 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.66 -45.81 60.83 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.478 -0.764 . . . . 0.0 109.463 179.696 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -45.53 80.52 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.704 179.847 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 51.7 mt -62.99 -29.56 70.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.91 -1.119 . . . . 0.0 108.694 179.126 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -62.66 -39.5 94.12 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.876 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.8 mt-10 -70.47 -60.08 2.47 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.532 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.39 -64.75 0.23 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.973 -0.454 . . . . 0.0 111.073 179.406 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.593 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 3.1 p90 -112.59 32.41 5.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.671 -1.268 . . . . 0.0 110.498 179.78 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.021 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.63 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -33.41 65.22 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.228 -0.92 . . . . 0.0 110.299 . . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.143 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -57.37 -25.82 60.06 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.103 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.63 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.94 -49.2 30.85 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -177.946 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 4' ' ' LEU . 1.4 tttt -51.41 -27.78 11.05 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 175.191 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.143 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.23 -48.89 54.99 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.216 177.487 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.451 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 6.2 t80 -69.1 -18.78 64.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.364 -1.46 . . . . 0.0 109.803 179.662 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.493 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -71.77 -64.3 0.96 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.342 -0.849 . . . . 0.0 109.383 179.6 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 6.4 t0 -59.44 -29.4 67.75 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.614 179.337 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 7.0 mmtt -71.57 -28.54 63.91 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.294 -0.879 . . . . 0.0 109.237 179.119 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -69.99 -44.88 78.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.976 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -71.45 -21.7 61.92 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.289 178.78 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -73.13 -36.63 66.74 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.655 -0.653 . . . . 0.0 109.637 179.569 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -75.69 -37.9 59.13 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.475 -0.765 . . . . 0.0 110.359 -179.853 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.573 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 5.8 mt -73.65 -26.12 60.6 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.153 -0.967 . . . . 0.0 109.383 179.278 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 15.3 tttt -70.45 -50.39 38.8 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.233 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.3 -46.25 90.51 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.168 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.91 -73.19 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.757 -0.589 . . . . 0.0 110.14 179.047 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 18.5 p90 -105.48 134.55 48.41 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.899 -1.125 . . . . 0.0 110.17 179.784 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.772 -1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.632 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -71.64 -29.62 64.85 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.08 -1.013 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 1.115 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -58.93 -27.25 65.11 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.922 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.48 -49.55 26.15 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -177.687 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 37.7 tttt -51.87 -27.62 13.33 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 175.43 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.115 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.85 -47.77 61.43 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.037 177.623 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.489 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 48.0 t80 -69.35 -20.26 63.85 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.337 -1.477 . . . . 0.0 109.785 179.552 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.7 t80 -68.07 -50.75 53.15 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.356 -0.84 . . . . 0.0 110.194 179.829 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.44 -35.27 78.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.192 -0.943 . . . . 0.0 110.458 -179.744 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -30.26 69.49 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.174 -0.954 . . . . 0.0 109.344 179.431 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -75.48 -41.22 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.467 -0.771 . . . . 0.0 109.769 179.81 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -71.39 -22.25 61.9 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.35 -0.844 . . . . 0.0 109.654 179.409 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -43.76 62.33 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.574 -0.703 . . . . 0.0 109.444 179.549 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -70.01 -35.19 74.17 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.931 179.61 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 8.0 mp -74.88 -24.23 58.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.197 -0.939 . . . . 0.0 109.413 179.222 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -68.59 -50.21 53.39 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.04 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -62.66 -48.44 79.32 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.376 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.32 -76.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.884 -0.51 . . . . 0.0 110.286 178.904 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 13.9 p90 -99.49 160.28 14.4 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.975 -1.078 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.521 -0.178 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.487 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 53.0 t80 -70.0 -23.4 63.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.274 -1.516 . . . . 0.0 110.036 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.643 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.5 t80 -67.25 -63.0 1.15 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.233 -0.917 . . . . 0.0 109.771 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -60.1 -31.5 70.09 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.194 -0.941 . . . . 0.0 109.907 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.54 -28.83 66.35 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.317 -0.865 . . . . 0.0 109.582 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.772 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -77.32 -37.31 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.353 -0.842 . . . . 0.0 109.767 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.64 -23.6 60.93 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.391 -0.818 . . . . 0.0 109.766 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -75.56 -46.13 33.78 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.475 -0.766 . . . . 0.0 109.805 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -67.19 -40.83 86.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.394 -0.816 . . . . 0.0 109.852 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 11' ' ' VAL . 5.2 mp -71.93 -24.55 61.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.245 -0.909 . . . . 0.0 109.405 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -68.1 -47.99 66.72 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.0 tt0 -65.03 -53.53 44.54 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -39.8 -72.44 0.06 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.816 -0.553 . . . . 0.0 110.369 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 43.3 p90 . . . . . 0 N--CA 1.485 1.313 0 O-C-N 120.96 -1.087 . . . . 0.0 110.315 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.145 0.021 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.488 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 51.9 t80 -71.86 -22.75 61.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.043 -1.661 . . . . 0.0 110.273 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.472 ' O ' HG12 ' A' ' 11' ' ' VAL . 66.9 t80 -69.22 -61.42 1.8 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.354 -0.841 . . . . 0.0 109.796 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 1.6 p30 -56.66 -37.18 70.45 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.975 -1.078 . . . . 0.0 109.758 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -62.82 -33.85 76.08 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.488 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -72.47 -37.02 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.412 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -23.04 65.74 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.538 -0.726 . . . . 0.0 109.654 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.55 -50.94 22.15 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.618 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -69.12 -18.77 64.01 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.217 178.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.532 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -85.01 -26.23 27.2 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.653 0.74 . . . . 0.0 109.013 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -64.73 -47.33 78.65 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.009 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.3 mp0 -74.7 -48.25 26.96 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 14' ' ' LYS . . . -35.35 -61.41 0.44 Allowed 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.48 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 11.7 m-85 . . . . . 0 N--CA 1.503 2.207 0 O-C-N 121.596 -0.69 . . . . 0.0 111.318 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 11' ' ' VAL . 22.2 t80 -63.56 -37.88 88.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.189 -1.569 . . . . 0.0 109.952 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.48 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -63.61 -23.05 67.22 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.263 -0.898 . . . . 0.0 109.371 179.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -83.52 -40.88 18.6 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.288 -0.883 . . . . 0.0 110.99 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -33.26 75.57 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.938 -1.101 . . . . 0.0 108.842 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.585 HG23 ' N ' ' A' ' 12' ' ' ALA . 32.6 m -76.41 -45.46 34.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.642 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.585 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -61.87 -24.13 66.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.405 -0.809 . . . . 0.0 110.025 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -48.41 39.31 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -22.35 65.55 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.789 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 2.9 mm? -84.67 -25.88 28.16 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -63.52 -45.93 88.36 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.111 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 mt-10 -71.53 -52.75 16.58 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.8 -59.42 0.48 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.998 -0.439 . . . . 0.0 111.408 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 16.0 m-85 . . . . . 0 N--CA 1.498 1.951 0 O-C-N 121.269 -0.894 . . . . 0.0 110.923 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.189 0.042 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.6 -23.03 63.47 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.069 -1.644 . . . . 0.0 110.806 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.8 -34.27 71.58 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.167 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -67.37 -50.17 60.87 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.435 -0.791 . . . . 0.0 109.833 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -61.88 -29.26 70.08 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -66.36 -40.54 86.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.584 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . . . -67.14 -26.97 66.94 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.841 -0.743 . . . . 0.0 109.44 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -34.7 78.03 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.668 0.747 . . . . 0.0 109.139 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -72.09 -54.38 9.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.793 -0.567 . . . . 0.0 111.727 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.986 HD12 ' N ' ' A' ' 16' ' ' LYS . 4.5 pp -57.36 -32.72 67.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.708 -1.245 . . . . 0.0 108.825 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.986 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -67.99 -40.03 83.15 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . 25.1 tp10 -61.16 -61.94 2.2 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.05 -70.94 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.327 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 43.4 p90 . . . . . 0 N--CA 1.485 1.279 0 O-C-N 120.858 -1.151 . . . . 0.0 110.223 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.519 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 C--O 1.211 -0.959 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.477 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 8.2 t80 -66.88 -21.61 66.0 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.523 -1.361 . . . . 0.0 109.579 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.82 -67.36 0.51 Allowed 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.523 -0.735 . . . . 0.0 109.75 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.403 ' OD2' ' HA ' ' A' ' 6' ' ' ALA . 1.3 p30 -53.02 -36.15 60.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.278 -0.889 . . . . 0.0 109.564 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 1.7 tptt -73.14 -24.25 60.56 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.309 -0.869 . . . . 0.0 109.361 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.1 t -70.46 -46.35 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -69.11 -23.81 64.04 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.468 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -67.68 -37.43 82.32 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -71.08 -34.87 71.58 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.53 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 3.1 mt -70.73 -29.77 66.12 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 5.0 mttp -66.74 -45.19 79.43 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' ALA . 30.6 tt0 -62.18 -57.09 12.79 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.09 -59.53 0.61 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.941 -0.475 . . . . 0.0 111.026 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 6.0 m-30 . . . . . 0 N--CA 1.501 2.094 0 O-C-N 121.233 -0.917 . . . . 0.0 110.412 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 9' ' ' ASP . . . . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 120.533 0.206 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.527 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 16.8 t80 -74.74 -21.56 59.28 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.332 -1.48 . . . . 0.0 110.724 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.448 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -75.27 -64.51 1.04 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.28 -0.887 . . . . 0.0 110.498 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 7.8 p-10 -55.82 -37.02 68.12 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.915 . . . . 0.0 110.016 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.49 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 17.6 ttpt -64.14 -33.4 75.68 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -69.47 -37.97 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.014 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.78 -22.36 62.39 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.613 -0.679 . . . . 0.0 109.704 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.85 -42.92 66.34 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.482 -0.762 . . . . 0.0 109.243 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -74.85 -36.64 62.34 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.762 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.579 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 19.3 mt -73.63 -24.73 60.06 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.119 -0.988 . . . . 0.0 109.797 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -51.68 20.32 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.259 -0.901 . . . . 0.0 109.029 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.5 tt0 -60.46 -55.8 29.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -37.78 -63.55 0.46 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.862 -0.524 . . . . 0.0 110.946 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 15' ' ' LEU . 9.6 m-30 . . . . . 0 N--CA 1.499 1.987 0 O-C-N 121.29 -0.881 . . . . 0.0 111.017 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.862 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.784 ' O ' HG22 ' A' ' 11' ' ' VAL . 66.3 t80 -62.15 -26.52 68.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.315 -1.491 . . . . 0.0 110.0 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -32.16 70.28 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.137 -0.977 . . . . 0.0 109.899 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 9.0 m-20 -81.84 -28.26 33.15 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.99 -1.069 . . . . 0.0 109.9 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -73.07 -32.76 65.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 109.218 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 7' ' ' PHE . 10.9 m -79.45 -41.87 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.889 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -70.11 -22.72 62.99 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.027 -1.046 . . . . 0.0 109.996 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 18.5 tt0 -76.24 -48.77 19.08 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.358 -0.838 . . . . 0.0 110.29 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.554 ' CG ' ' N ' ' A' ' 15' ' ' LEU . 10.5 pttm -64.59 -45.39 87.18 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.796 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 19.2 mt -67.82 -26.04 65.87 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.406 -0.809 . . . . 0.0 109.183 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -65.46 -47.28 76.67 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.332 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -65.04 -48.96 72.01 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.395 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.68 -74.29 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.766 -0.584 . . . . 0.0 110.15 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 2.0 p90 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 120.986 -1.071 . . . . 0.0 110.576 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.504 ' O ' HG23 ' A' ' 11' ' ' VAL . 4.8 t80 -66.54 -23.21 66.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 119.984 -1.697 . . . . 0.0 110.057 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -31.36 45.75 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.153 -0.967 . . . . 0.0 109.66 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -70.59 -52.0 24.52 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.405 -0.809 . . . . 0.0 109.331 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 6' ' ' ALA . 24.7 mtmt -63.89 -25.68 68.26 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.0 t -70.04 -41.77 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.78 -22.24 60.87 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.492 -0.755 . . . . 0.0 109.317 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -72.39 -36.99 68.82 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.664 -0.647 . . . . 0.0 109.642 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 19.1 mtpt -78.41 -38.58 41.2 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.5 -0.75 . . . . 0.0 110.268 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD23 ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -69.42 -28.1 65.85 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.157 -0.964 . . . . 0.0 108.895 179.034 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 19' ' ' PHE . 1.8 tttt -69.5 -48.65 59.92 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -48.21 82.48 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.17 -75.48 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.779 -0.576 . . . . 0.0 110.728 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.542 ' CE2' HD23 ' A' ' 15' ' ' LEU . 24.5 p90 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 120.853 -1.155 . . . . 0.0 110.666 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 110.58 -0.155 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.561 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 2.7 t80 -73.36 -22.46 60.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.185 -1.572 . . . . 0.0 110.328 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.536 ' O ' HG12 ' A' ' 11' ' ' VAL . 17.6 t80 -78.7 -43.16 26.56 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.135 -0.978 . . . . 0.0 110.404 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 9.8 t70 -69.75 -38.12 76.69 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.217 -0.927 . . . . 0.0 110.326 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 6' ' ' ALA . 26.8 mmtt -70.83 -28.62 64.74 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.205 -0.934 . . . . 0.0 109.237 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.561 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -70.41 -43.55 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 119.332 -0.947 . . . . 0.0 108.683 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.459 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -72.52 -20.72 61.3 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 121.696 0.76 . . . . 0.0 109.124 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -67.67 -40.55 84.44 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.557 0.694 . . . . 0.0 109.156 179.521 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -48.54 63.18 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.136 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.549 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 6.9 mp -70.29 -21.61 62.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.03 -1.043 . . . . 0.0 109.423 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 5.5 tttt -67.76 -48.6 65.94 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -67.86 -52.93 30.98 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.533 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.54 -61.04 0.48 Allowed 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.838 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 12.6 m-30 . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.283 -0.885 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 14.3 t80 -65.84 -35.54 80.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.263 -1.523 . . . . 0.0 110.269 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.507 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -66.97 -32.85 74.37 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.12 -0.987 . . . . 0.0 110.01 179.663 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.38 -45.99 57.29 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.094 -1.004 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -66.73 -28.71 68.64 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.184 -0.947 . . . . 0.0 109.125 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -79.03 -38.26 20.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.622 179.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.2 63.28 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.242 -0.911 . . . . 0.0 109.425 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.4 -43.93 59.48 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.424 -0.798 . . . . 0.0 109.006 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -66.24 -38.53 88.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.397 -0.814 . . . . 0.0 109.717 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.624 HD12 ' CE1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -70.97 -28.08 64.2 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.08 -1.012 . . . . 0.0 108.902 178.811 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.1 ttmm -66.77 -43.0 85.17 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.5 tm-20 -65.91 -58.0 6.57 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.21 -60.49 0.56 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 122.004 -0.435 . . . . 0.0 110.852 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.624 ' CE1' HD12 ' A' ' 15' ' ' LEU . 10.1 m-85 . . . . . 0 N--CA 1.498 1.962 0 O-C-N 121.218 -0.926 . . . . 0.0 110.653 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 4.8 t80 -66.23 -45.37 80.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.288 -1.508 . . . . 0.0 110.211 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.532 ' O ' HG12 ' A' ' 11' ' ' VAL . 7.5 t80 -51.32 -37.52 48.16 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.926 -1.109 . . . . 0.0 109.493 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -76.08 -30.36 58.3 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.145 -0.972 . . . . 0.0 110.111 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -30.15 67.81 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.331 -0.856 . . . . 0.0 109.548 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.562 ' CG1' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -80.27 -49.78 18.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.775 -179.762 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.815 ' HA ' HD21 ' A' ' 15' ' ' LEU . . . -55.73 -34.39 65.12 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.906 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.9 -29.74 62.23 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.429 -0.794 . . . . 0.0 109.234 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -68.39 -66.26 0.59 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.494 -0.754 . . . . 0.0 109.996 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.815 HD21 ' HA ' ' A' ' 12' ' ' ALA . 1.3 pp -50.28 -34.29 22.87 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.73 -35.81 75.31 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.683 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 18' ' ' ALA . 8.3 tt0 -74.45 -63.76 1.17 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -31.8 -64.34 0.16 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 120.808 0.337 . . . . 0.0 110.83 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 15' ' ' LEU . 32.2 p90 . . . . . 0 N--CA 1.484 1.23 0 O-C-N 121.005 -1.059 . . . . 0.0 110.061 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.872 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.697 ' O ' HG13 ' A' ' 11' ' ' VAL . 17.1 t80 -66.46 -33.88 76.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.377 -1.452 . . . . 0.0 109.438 179.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.505 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -68.42 -25.94 65.28 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.248 -0.908 . . . . 0.0 108.995 178.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -39.74 33.11 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.427 -0.796 . . . . 0.0 110.457 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -70.12 -28.14 65.15 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.214 -0.929 . . . . 0.0 109.442 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 7' ' ' PHE . 27.3 m -81.16 -46.55 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.665 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.563 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -67.36 -21.32 65.63 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.48 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -49.54 19.44 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 121.51 0.672 . . . . 0.0 109.434 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -31.87 72.82 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.431 -0.793 . . . . 0.0 109.666 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.584 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 50.3 mt -77.13 -25.78 52.47 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.422 -0.799 . . . . 0.0 109.198 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -68.49 -49.54 58.99 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -46.18 82.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.0 -76.11 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.729 -0.607 . . . . 0.0 110.219 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 16.7 p90 . . . . . 0 N--CA 1.487 1.381 0 O-C-N 120.985 -1.072 . . . . 0.0 110.506 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.478 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 61.7 t80 -59.95 -18.92 49.01 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.271 -1.518 . . . . 0.0 108.764 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.486 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -69.61 -45.9 67.49 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -56.56 -53.37 58.31 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.437 -0.79 . . . . 0.0 109.145 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -65.59 -20.65 66.4 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.289 -0.882 . . . . 0.0 108.799 178.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -63.84 -46.39 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.504 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -63.2 -30.14 71.35 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -67.21 -25.58 66.18 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 11' ' ' VAL . 16.1 mttt -71.1 -58.41 3.58 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.697 -0.627 . . . . 0.0 109.793 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.574 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 2.4 mp -60.7 -28.5 68.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.024 -1.048 . . . . 0.0 108.425 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -61.62 -42.9 99.54 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.348 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' O ' ' C ' ' A' ' 18' ' ' ALA . 6.4 tt0 -72.76 -61.91 1.64 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.76 -54.18 0.11 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 122.123 -0.36 . . . . 0.0 111.719 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 12.6 m-85 . . . . . 0 N--CA 1.498 1.969 0 O-C-N 120.989 -1.07 . . . . 0.0 110.431 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.524 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 45.8 t80 -66.21 -27.02 67.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 119.93 -1.731 . . . . 0.0 110.393 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.53 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -65.11 -44.35 89.05 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.25 -0.906 . . . . 0.0 109.687 179.53 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -62.16 -47.26 85.29 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -67.99 -21.82 65.04 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.216 -0.927 . . . . 0.0 109.589 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -71.18 -44.59 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.3 -0.875 . . . . 0.0 109.265 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -69.79 -22.75 63.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.596 -0.69 . . . . 0.0 109.892 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -72.53 -40.7 66.57 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.325 -0.859 . . . . 0.0 109.228 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.26 -20.05 52.45 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.509 -0.744 . . . . 0.0 109.903 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.2 mp -79.33 -31.11 43.03 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.187 -0.946 . . . . 0.0 108.524 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -65.49 -47.38 76.21 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -42.31 92.94 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -44.84 -74.6 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.876 -0.515 . . . . 0.0 110.734 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 p90 . . . . . 0 N--CA 1.487 1.39 0 O-C-N 120.789 -1.194 . . . . 0.0 110.796 -179.661 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.517 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 25.6 t80 -70.58 -22.79 62.53 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.263 -1.523 . . . . 0.0 110.44 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.618 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.03 -64.27 0.94 Allowed 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.035 -1.041 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -54.59 -28.57 47.24 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.016 -1.052 . . . . 0.0 109.309 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -29.8 61.64 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -76.69 -37.94 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 109.888 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -72.18 -26.28 62.01 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.336 -0.853 . . . . 0.0 109.302 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.75 -30.94 51.78 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.475 -0.766 . . . . 0.0 109.961 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -76.65 -48.55 18.69 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.165 -0.959 . . . . 0.0 109.91 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 2.3 mm? -70.38 -24.69 62.99 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.284 -0.885 . . . . 0.0 109.336 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 16.4 ttmt -71.62 -50.82 27.15 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.487 -0.758 . . . . 0.0 109.037 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -44.28 95.62 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.13 -75.56 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.097 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 16' ' ' LYS . 19.2 p90 . . . . . 0 N--CA 1.486 1.369 0 O-C-N 120.848 -1.158 . . . . 0.0 110.563 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 110.853 -0.054 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' O ' HG22 ' A' ' 11' ' ' VAL . 5.2 t80 -72.08 -40.91 67.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.056 -1.653 . . . . 0.0 109.69 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.482 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -59.27 -19.09 43.07 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.243 -0.911 . . . . 0.0 109.262 178.834 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.79 -45.33 13.44 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.459 -0.776 . . . . 0.0 111.229 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -32.47 74.03 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.96 -1.088 . . . . 0.0 108.817 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.565 HG23 ' N ' ' A' ' 12' ' ' ALA . 34.0 m -75.88 -44.77 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.488 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.565 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -62.04 -23.83 66.7 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.311 -0.868 . . . . 0.0 109.514 179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.99 -47.12 63.46 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -66.25 -24.95 66.67 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.155 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -77.02 -30.24 55.71 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -63.83 -41.97 97.74 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.9 tt0 -70.37 -59.15 3.03 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.31 -57.51 0.49 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.934 -0.479 . . . . 0.0 111.382 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 8.1 m-30 . . . . . 0 N--CA 1.498 1.927 0 O-C-N 121.144 -0.972 . . . . 0.0 110.733 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.63 ' O ' HG13 ' A' ' 11' ' ' VAL . 55.0 t80 -68.06 -20.94 65.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.336 -1.478 . . . . 0.0 109.966 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.536 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.5 t80 -73.06 -35.05 66.62 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.234 -0.916 . . . . 0.0 109.455 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 28.4 t70 -77.7 -34.63 52.74 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.342 -0.849 . . . . 0.0 109.627 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -68.08 -29.82 68.86 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.269 -0.895 . . . . 0.0 109.304 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 7' ' ' PHE . 27.2 m -81.08 -43.38 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 119.566 -0.854 . . . . 0.0 110.724 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.455 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -68.5 -25.4 64.94 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.12 -0.987 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -82.38 -37.29 25.82 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.236 -0.915 . . . . 0.0 110.612 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -33.42 66.68 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.986 -1.071 . . . . 0.0 110.098 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.587 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.4 mm? -82.65 -25.17 33.34 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.222 -0.924 . . . . 0.0 108.787 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -66.52 -49.93 64.87 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.134 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.5 mm-40 -67.27 -44.92 78.13 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.19 -75.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.804 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 7.6 p90 . . . . . 0 N--CA 1.487 1.383 0 O-C-N 121.018 -1.051 . . . . 0.0 110.18 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.48 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 67.9 t80 -69.02 -21.76 64.11 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.281 -1.512 . . . . 0.0 109.882 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.65 ' O ' HG12 ' A' ' 11' ' ' VAL . 26.9 t80 -67.3 -68.32 0.39 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.379 -0.825 . . . . 0.0 109.781 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.01 -30.88 62.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.158 -0.964 . . . . 0.0 109.736 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -29.41 67.24 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.342 -0.848 . . . . 0.0 109.47 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.897 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -76.87 -37.39 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.336 -0.853 . . . . 0.0 109.812 179.83 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' LYS . . . -73.68 -23.29 59.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.426 -0.796 . . . . 0.0 109.587 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -44.9 48.37 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.513 -0.742 . . . . 0.0 109.535 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -72.2 -30.41 64.92 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.369 -0.832 . . . . 0.0 109.881 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.897 HD13 ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -76.23 -26.2 55.83 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.309 -0.869 . . . . 0.0 109.271 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 1.3 mmtt -67.86 -48.14 66.97 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.26 -48.01 77.37 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.62 -77.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.729 -0.607 . . . . 0.0 110.166 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 12.9 p90 . . . . . 0 N--CA 1.488 1.43 0 O-C-N 121.003 -1.06 . . . . 0.0 110.436 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.488 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 11.2 t80 -66.12 -19.5 65.86 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.363 -1.461 . . . . 0.0 109.049 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.54 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.63 -50.87 32.36 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.627 -0.67 . . . . 0.0 109.429 179.219 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -61.05 -40.29 93.07 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.276 -0.89 . . . . 0.0 109.363 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -67.85 -27.1 66.4 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.417 -0.802 . . . . 0.0 109.377 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -71.69 -42.25 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.879 . . . . 0.0 109.176 179.459 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -73.55 -20.74 60.56 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.566 -0.709 . . . . 0.0 110.014 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.81 -43.68 58.07 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.519 -0.738 . . . . 0.0 109.85 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -71.45 -40.81 70.11 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.526 -0.734 . . . . 0.0 109.684 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.0 mm? -70.66 -25.31 62.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.297 -0.877 . . . . 0.0 109.016 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -68.58 -47.67 66.19 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -58.35 -51.17 70.94 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -41.19 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.027 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 20.1 p90 . . . . . 0 N--CA 1.486 1.365 0 O-C-N 120.818 -1.176 . . . . 0.0 110.609 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.438 ' HB1' ' HE3' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.46 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 27.4 t80 -66.44 -19.36 65.77 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.18 -1.575 . . . . 0.0 109.669 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -67.31 0.61 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.495 -0.753 . . . . 0.0 110.129 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.28 -41.79 65.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.292 -0.88 . . . . 0.0 110.165 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HE3' ' HB1' ' A' ' 6' ' ' ALA . 1.2 mtmt -62.58 -30.96 71.71 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.206 -0.934 . . . . 0.0 108.739 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -70.79 -36.56 65.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.294 179.523 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -69.98 -27.29 64.59 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.424 -0.797 . . . . 0.0 109.547 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.44 -35.72 68.37 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.379 -0.826 . . . . 0.0 109.903 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 10.9 tttm -76.85 -37.75 55.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.498 -0.751 . . . . 0.0 110.947 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 11' ' ' VAL . 4.9 mp -75.77 -24.37 56.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.976 -1.078 . . . . 0.0 110.34 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -73.06 -54.92 7.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.454 -0.898 . . . . 0.0 108.648 179.46 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.75 -39.31 84.33 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 14' ' ' LYS . . . -51.04 -79.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.869 -0.519 . . . . 0.0 110.056 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 8.0 p90 . . . . . 0 N--CA 1.487 1.398 0 O-C-N 121.001 -1.062 . . . . 0.0 110.642 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.428 0.156 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.535 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.6 OUTLIER -70.73 -30.36 66.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.525 -1.359 . . . . 0.0 110.287 -179.792 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.523 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -68.15 -52.18 37.5 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.088 -1.007 . . . . 0.0 110.168 179.826 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -34.79 79.27 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.252 -0.905 . . . . 0.0 110.728 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 2.3 tppm? -73.98 -26.09 60.27 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.177 -0.952 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -75.3 -43.38 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 109.443 179.798 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -67.11 -24.55 65.94 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.157 179.147 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -37.6 68.35 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.586 -0.696 . . . . 0.0 109.718 179.478 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -76.53 -33.69 58.57 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.36 -0.837 . . . . 0.0 110.692 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.524 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.9 mp -74.85 -28.09 60.53 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.129 -0.982 . . . . 0.0 109.339 179.385 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -71.45 -46.51 59.79 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.23 -48.28 76.43 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.04 -71.18 0.08 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.76 -0.587 . . . . 0.0 110.879 179.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 20.2 p90 . . . . . 0 N--CA 1.488 1.439 0 O-C-N 120.741 -1.224 . . . . 0.0 110.665 -179.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.426 ' O ' ' HD3' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 11' ' ' VAL . 79.9 t80 -66.19 -14.88 62.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.204 -1.56 . . . . 0.0 109.491 179.504 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 1.7 t80 -77.67 -65.3 0.98 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.53 -0.732 . . . . 0.0 109.826 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -52.48 -38.9 60.47 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.657 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -66.38 -31.04 71.56 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.674 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.6 t -72.96 -36.53 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.156 179.286 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.35 62.54 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.471 -0.768 . . . . 0.0 109.128 178.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -76.1 -30.5 58.3 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -80.17 -28.87 38.7 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.525 -0.734 . . . . 0.0 109.189 179.073 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.583 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 5.9 mp -78.87 -28.51 44.19 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.394 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 9.7 tptp -71.74 -47.19 55.48 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -59.97 -57.17 14.03 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.115 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.52 -64.43 0.43 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.83 -0.544 . . . . 0.0 110.71 178.702 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 . . . . . 0 N--CA 1.5 2.068 0 O-C-N 121.336 -0.852 . . . . 0.0 110.826 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.793 -0.077 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 11' ' ' VAL . 6.2 t80 -70.84 -23.53 62.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.285 -1.509 . . . . 0.0 111.275 -179.505 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -49.52 18.17 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.94 -1.1 . . . . 0.0 109.788 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -37.0 86.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.404 -0.81 . . . . 0.0 109.942 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -66.05 -33.38 75.65 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.003 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.633 HG21 ' CE1' ' A' ' 7' ' ' PHE . 2.1 t -77.27 -30.36 17.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.338 179.3 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -74.04 -25.15 59.7 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.394 -0.816 . . . . 0.0 109.586 179.144 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.77 -44.28 56.52 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.577 -0.702 . . . . 0.0 109.175 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -69.82 -34.08 73.19 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.364 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 3.2 mm? -74.5 -28.38 60.98 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.547 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -70.28 -51.04 33.45 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.016 179.871 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ALA . 25.9 mm-40 -60.16 -53.05 62.31 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.091 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.06 -64.45 0.41 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.921 -0.487 . . . . 0.0 110.817 178.826 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 . . . . . 0 N--CA 1.502 2.13 0 O-C-N 121.392 -0.818 . . . . 0.0 111.08 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 13.8 t80 -60.64 -29.41 69.24 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.053 -1.654 . . . . 0.0 109.066 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.703 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.3 t80 -68.67 -34.68 76.11 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 5.4 t70 -62.57 -59.99 4.15 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.481 -0.762 . . . . 0.0 109.883 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -30.33 62.05 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -61.76 -35.68 69.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.49 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 9' ' ' ASP . . . -68.11 -27.45 66.48 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.797 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -37.01 86.23 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.322 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -47.81 62.04 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.394 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.6 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 25.0 mt -68.15 -25.09 65.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.044 -1.035 . . . . 0.0 109.365 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 19' ' ' PHE . 6.3 tptp -69.11 -46.42 67.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.695 0.759 . . . . 0.0 109.051 179.347 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -50.51 71.07 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.446 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.3 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.207 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 3.9 p90 . . . . . 0 N--CA 1.488 1.439 0 O-C-N 120.914 -1.116 . . . . 0.0 110.691 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.715 ' CD1' HG23 ' A' ' 11' ' ' VAL . 1.2 t80 -66.53 -28.71 68.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.557 -1.339 . . . . 0.0 109.87 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -68.6 -38.26 80.49 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.453 -0.779 . . . . 0.0 109.597 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.19 -56.27 15.9 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.472 -0.768 . . . . 0.0 110.485 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -66.12 -22.4 66.39 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.14 -0.975 . . . . 0.0 109.264 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.715 HG23 ' CD1' ' A' ' 7' ' ' PHE . 2.7 t -76.12 -38.53 34.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.381 179.504 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.53 -23.42 61.0 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.488 -0.758 . . . . 0.0 109.258 178.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.4 -43.83 59.69 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.522 -0.736 . . . . 0.0 109.563 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -68.86 -39.06 80.09 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.385 -0.822 . . . . 0.0 109.531 179.274 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 3.0 mp -66.19 -29.68 70.0 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 30.0 tttm -62.22 -43.65 98.35 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.814 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' ALA . 30.6 mt-10 -65.96 -56.84 9.62 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.557 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -37.35 -71.94 0.07 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.131 0.491 . . . . 0.0 110.333 179.099 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 2.3 p90 . . . . . 0 N--CA 1.486 1.349 0 O-C-N 121.007 -1.058 . . . . 0.0 110.073 179.764 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.34 0.114 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.54 -10.93 59.89 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.288 -1.508 . . . . 0.0 110.076 -179.481 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -74.6 -58.04 3.54 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.295 -0.878 . . . . 0.0 109.035 179.295 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.65 -35.49 76.34 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.366 -0.834 . . . . 0.0 109.18 178.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.47 -33.18 74.34 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.659 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.39 -37.17 74.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.38 -24.33 64.77 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.464 -0.772 . . . . 0.0 110.058 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.444 ' OE2' ' HE3' ' A' ' 16' ' ' LYS . 22.2 mm-40 -72.82 -43.08 63.14 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.333 -0.854 . . . . 0.0 109.55 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -38.9 81.58 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.258 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.53 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 9.2 mp -76.36 -21.8 55.65 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.226 -0.921 . . . . 0.0 109.295 179.334 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HE3' ' OE2' ' A' ' 13' ' ' GLU . 9.8 ttpp -65.45 -46.52 79.55 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.048 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 mt-10 -71.79 -53.68 12.58 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.309 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -33.7 -58.39 0.42 Allowed 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.179 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 9.4 m-30 . . . . . 0 N--CA 1.497 1.896 0 O-C-N 121.365 -0.834 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 8.9 t80 -70.48 -26.38 63.59 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.321 -1.487 . . . . 0.0 110.102 179.737 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.636 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -67.17 -67.46 0.45 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.309 -0.869 . . . . 0.0 109.91 179.672 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -57.22 -30.84 64.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.18 -0.95 . . . . 0.0 109.883 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -69.33 -29.41 67.23 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.365 -0.834 . . . . 0.0 109.362 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.894 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -76.64 -38.34 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.398 -0.814 . . . . 0.0 109.653 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.402 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -72.02 -23.92 61.47 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.347 -0.845 . . . . 0.0 109.598 179.266 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -74.49 -43.55 55.5 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.428 -0.795 . . . . 0.0 109.481 179.695 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -44.34 81.48 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.396 -0.815 . . . . 0.0 109.846 179.681 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 ' O ' ' A' ' 11' ' ' VAL . 5.1 mt -70.01 -24.26 63.26 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.196 -0.94 . . . . 0.0 109.36 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 15.8 tttt -66.51 -47.39 73.1 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.284 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.2 mm-40 -66.31 -56.94 8.73 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.427 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.64 -60.84 0.42 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 122.057 -0.402 . . . . 0.0 111.188 179.094 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 11.2 m-30 . . . . . 0 N--CA 1.498 1.937 0 O-C-N 121.249 -0.907 . . . . 0.0 110.871 -179.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.408 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 7.4 t80 -73.41 -13.99 61.18 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 120.338 -1.476 . . . . 0.0 109.619 179.655 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.628 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.75 -61.23 1.86 Allowed 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.523 -0.735 . . . . 0.0 109.383 179.515 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.11 -30.55 70.43 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.129 -0.982 . . . . 0.0 109.907 179.609 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -31.37 69.63 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.252 -0.905 . . . . 0.0 109.268 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -72.74 -37.46 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.344 -0.847 . . . . 0.0 109.036 179.29 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -71.11 -21.22 62.24 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 121.685 0.755 . . . . 0.0 109.396 179.28 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.93 -49.28 30.4 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.442 -0.786 . . . . 0.0 109.499 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -65.67 -41.48 92.44 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.805 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.581 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -66.13 -28.15 68.58 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.195 -0.941 . . . . 0.0 109.0 178.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.613 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -66.45 -45.01 81.21 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.288 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' ALA . 71.2 mm-40 -63.31 -57.83 9.11 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.616 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.11 -60.04 0.58 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.08 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 5.3 m-30 . . . . . 0 N--CA 1.5 2.052 0 O-C-N 121.13 -0.981 . . . . 0.0 110.69 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.797 ' O ' HG13 ' A' ' 11' ' ' VAL . 71.1 t80 -70.56 -23.35 62.59 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.366 -1.459 . . . . 0.0 110.144 179.805 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.534 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.4 t80 -73.64 -36.02 65.36 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.286 -0.883 . . . . 0.0 110.192 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 28.0 t0 -77.79 -33.99 52.37 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.082 -1.011 . . . . 0.0 109.757 179.423 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -29.82 66.67 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.267 -0.896 . . . . 0.0 109.651 179.277 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 7' ' ' PHE . 34.6 m -79.71 -43.04 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.337 -0.852 . . . . 0.0 110.064 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.489 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -68.92 -23.35 64.16 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.172 -0.955 . . . . 0.0 109.921 179.585 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 6.5 mm-40 -76.35 -46.69 26.35 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.362 -0.836 . . . . 0.0 110.022 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -66.54 -38.77 87.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.832 . . . . 0.0 110.135 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 3.8 mm? -75.87 -23.4 55.64 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.213 -0.929 . . . . 0.0 109.331 179.25 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -67.65 -46.95 70.95 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.072 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -67.36 -49.51 63.66 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.421 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.67 -73.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.816 -0.553 . . . . 0.0 110.194 178.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 4.6 p90 . . . . . 0 N--CA 1.487 1.38 0 O-C-N 121.053 -1.03 . . . . 0.0 110.245 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -70.56 -20.78 62.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.413 -1.43 . . . . 0.0 110.492 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.653 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.8 t80 -67.9 -56.91 7.29 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.114 -0.991 . . . . 0.0 108.972 179.341 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 10.5 m-20 -66.14 -24.43 66.67 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.249 -0.907 . . . . 0.0 109.269 179.006 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -64.92 -38.08 89.79 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.653 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -71.38 -36.94 63.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.867 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.57 -21.51 65.43 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.544 0.688 . . . . 0.0 109.537 179.312 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -50.3 25.14 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.449 -0.782 . . . . 0.0 109.215 179.468 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -70.58 -23.08 62.53 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.727 -0.789 . . . . 0.0 109.737 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.572 ' HG ' ' CE1' ' A' ' 19' ' ' PHE . 10.5 tp -79.72 -26.97 40.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.346 -0.846 . . . . 0.0 108.76 178.722 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.579 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.2 ttpt -68.5 -50.98 48.16 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.662 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . 8.5 tp10 -52.25 -58.01 7.94 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.828 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.74 -62.73 0.46 Allowed 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.77 178.597 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 11.1 m-30 . . . . . 0 N--CA 1.497 1.906 0 O-C-N 121.311 -0.868 . . . . 0.0 110.992 -179.757 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -67.31 -19.02 65.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.331 -1.481 . . . . 0.0 110.276 179.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.512 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -72.34 -61.13 1.9 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.103 -0.998 . . . . 0.0 110.155 179.78 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 2.7 p30 -62.53 -30.69 71.48 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.0 -1.063 . . . . 0.0 110.637 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 26.8 tttt -66.51 -33.37 75.53 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.115 -0.991 . . . . 0.0 109.027 179.414 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -74.04 -44.27 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.668 179.65 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.494 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -67.05 -23.09 65.85 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.6 -0.687 . . . . 0.0 109.901 179.666 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.546 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 13.4 tt0 -72.66 -44.84 61.32 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.386 -0.821 . . . . 0.0 110.077 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -72.23 -38.37 68.95 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.21 -0.931 . . . . 0.0 111.34 -179.181 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -27.91 62.72 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.874 -1.141 . . . . 0.0 109.963 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -72.5 -32.01 65.82 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.438 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -74.89 -47.72 28.58 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.57 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -42.08 -71.65 0.08 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.781 -0.574 . . . . 0.0 110.003 178.267 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 N--CA 1.488 1.465 0 O-C-N 120.814 -1.179 . . . . 0.0 110.547 179.744 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.476 0.825 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 26.1 t80 -71.06 -26.21 62.97 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.332 -1.48 . . . . 0.0 110.102 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.646 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -67.57 -52.41 38.94 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.278 -0.889 . . . . 0.0 109.989 179.853 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -66.03 -35.34 80.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.074 -1.016 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -68.37 -28.88 67.51 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.289 -0.882 . . . . 0.0 109.551 179.618 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -76.99 -37.29 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.704 179.776 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -73.07 -23.0 60.5 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.483 -0.761 . . . . 0.0 109.681 179.211 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -73.57 -46.76 45.42 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.39 -0.819 . . . . 0.0 109.133 179.424 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -30.65 68.5 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.647 179.34 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.4 mt -75.54 -26.0 57.66 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.354 -0.841 . . . . 0.0 109.247 179.127 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.02 -46.14 78.94 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.102 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' ALA . 68.7 mt-10 -66.52 -56.32 11.38 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.322 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.11 -60.04 0.48 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.993 -0.442 . . . . 0.0 111.075 179.099 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 10.3 m-30 . . . . . 0 N--CA 1.499 2.005 0 O-C-N 121.304 -0.872 . . . . 0.0 110.924 -179.701 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.584 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 1.8 t80 -70.28 -36.29 74.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.091 -1.631 . . . . 0.0 110.725 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.45 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -62.26 -57.07 12.75 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 109.746 179.833 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 5.7 t0 -54.88 -40.39 69.7 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.471 -0.768 . . . . 0.0 110.789 -179.369 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -69.84 -27.98 65.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.01 -1.056 . . . . 0.0 109.458 179.657 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -73.99 -44.23 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.366 -0.834 . . . . 0.0 109.267 179.74 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.443 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -71.72 -18.1 62.17 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.744 0.783 . . . . 0.0 109.615 179.347 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 19.2 tt0 -73.52 -46.5 47.39 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.665 -0.647 . . . . 0.0 109.674 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -36.77 68.24 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.24 -0.912 . . . . 0.0 110.333 179.838 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 24.7 mt -74.63 -22.92 58.67 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.027 -1.046 . . . . 0.0 109.54 179.533 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' A' ' 16' ' ' LYS . 1.6 tppp? -68.84 -45.22 71.68 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.047 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.48 -46.66 63.32 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.217 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.8 -73.85 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.633 -0.667 . . . . 0.0 110.426 178.846 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 2.3 p90 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.047 -1.033 . . . . 0.0 110.381 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.503 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 37.2 t80 -71.4 -26.64 62.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.38 -1.45 . . . . 0.0 110.416 179.755 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.503 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.58 -49.18 56.57 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.201 -0.937 . . . . 0.0 108.945 179.41 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -53.57 -49.79 66.96 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.321 178.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -68.04 -22.62 64.95 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.368 -0.832 . . . . 0.0 109.382 179.161 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.503 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -66.23 -44.26 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.236 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.464 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -69.23 -23.62 63.9 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.452 0.644 . . . . 0.0 109.353 179.051 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.58 -39.22 81.07 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.013 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -33.44 64.52 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.592 -0.692 . . . . 0.0 109.22 179.023 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.748 HD12 ' HE2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -71.85 -27.12 62.68 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.822 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 17.8 tptm -69.23 -52.54 26.75 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.885 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -56.48 -40.25 74.6 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.836 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -48.4 -78.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.81 178.573 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.748 ' HE2' HD12 ' A' ' 15' ' ' LEU . 33.0 p90 . . . . . 0 N--CA 1.487 1.376 0 O-C-N 121.071 -1.018 . . . . 0.0 110.408 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.508 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 9.9 t80 -69.34 -26.94 64.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.417 -1.427 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.613 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -70.01 -49.59 49.97 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.106 -0.997 . . . . 0.0 109.855 179.525 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -64.58 -37.23 86.84 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.178 -0.952 . . . . 0.0 110.123 179.814 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -26.43 63.88 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.347 -0.846 . . . . 0.0 109.484 179.843 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -75.84 -40.32 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.272 -0.892 . . . . 0.0 109.79 179.677 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.403 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -76.13 -21.25 56.82 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.266 -0.896 . . . . 0.0 109.638 179.344 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.82 -38.02 62.17 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.548 -0.72 . . . . 0.0 109.861 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -74.06 -41.52 61.62 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.323 -0.861 . . . . 0.0 109.979 179.708 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 10.1 mp -72.37 -24.79 61.32 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.119 -0.988 . . . . 0.0 109.129 179.021 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.604 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 2.6 ttpt -69.98 -48.86 56.54 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.221 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -60.09 -53.78 53.69 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.363 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.42 -64.37 0.43 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.76 -0.587 . . . . 0.0 110.518 178.714 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.9 m-30 . . . . . 0 N--CA 1.499 2.006 0 O-C-N 121.358 -0.839 . . . . 0.0 110.664 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.835 ' O ' HG13 ' A' ' 11' ' ' VAL . 61.7 t80 -68.62 -27.82 66.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.25 -1.531 . . . . 0.0 109.874 179.738 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.499 ' C ' HG22 ' A' ' 11' ' ' VAL . 1.5 t80 -71.13 -30.74 66.87 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 179.803 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -80.13 -38.15 32.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.127 -0.983 . . . . 0.0 110.335 179.614 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -70.53 -28.14 64.7 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.183 -0.948 . . . . 0.0 109.468 179.618 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 7' ' ' PHE . 32.7 m -80.45 -46.12 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.347 -0.845 . . . . 0.0 109.835 179.759 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.56 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -66.94 -23.64 65.99 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.205 -0.935 . . . . 0.0 109.717 179.391 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -74.64 -46.11 40.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.41 -0.806 . . . . 0.0 109.598 179.736 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -45.85 88.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.363 -0.836 . . . . 0.0 109.998 179.83 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.577 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mm? -69.88 -24.31 63.39 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.088 -1.008 . . . . 0.0 109.294 179.339 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.56 -45.31 87.62 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.213 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -70.7 -57.26 4.87 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.469 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -33.05 -58.26 0.37 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.417 179.283 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 9.9 m-30 . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.337 -0.852 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.636 -0.135 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.464 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 74.8 t80 -69.58 -29.07 66.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.222 -1.549 . . . . 0.0 110.69 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -39.76 76.62 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.329 -0.857 . . . . 0.0 110.138 179.944 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.67 -42.42 74.19 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.429 -0.795 . . . . 0.0 110.404 -179.866 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -68.03 -27.88 66.91 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.197 179.402 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -76.6 -46.9 30.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.31 -0.868 . . . . 0.0 109.725 179.888 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -66.57 -24.06 66.3 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 109.91 179.487 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.565 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.48 -33.94 60.84 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.268 -0.895 . . . . 0.0 109.64 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.565 ' N ' ' HG3' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -71.84 -45.53 61.11 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.054 -1.029 . . . . 0.0 110.223 179.393 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.8 mt -71.96 -23.42 61.44 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.142 -0.974 . . . . 0.0 109.5 179.391 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 10.0 tttp -64.14 -45.46 88.38 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.272 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.4 mm-40 -73.08 -53.99 9.67 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.582 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.99 -57.83 0.37 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 122.134 -0.354 . . . . 0.0 111.368 179.245 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.493 ' HE1' HD22 ' A' ' 15' ' ' LEU . 8.8 m-30 . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.182 -0.949 . . . . 0.0 110.665 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.429 ' O ' HG22 ' A' ' 11' ' ' VAL . 11.7 t80 -57.52 -20.7 33.23 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.485 -1.384 . . . . 0.0 109.817 178.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.555 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.92 -37.76 76.03 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.706 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 4.4 t0 -75.04 -27.56 60.09 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.324 -0.86 . . . . 0.0 109.408 178.869 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -30.65 63.36 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.518 -0.739 . . . . 0.0 109.383 179.135 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 16.4 m -78.5 -42.04 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.459 179.515 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -69.83 -24.56 63.47 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.235 -0.916 . . . . 0.0 109.247 178.808 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 75.1 tt0 -74.72 -39.0 62.17 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.572 -0.705 . . . . 0.0 110.256 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' O ' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.37 -52.0 38.03 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.282 -0.886 . . . . 0.0 109.936 179.807 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -28.02 69.65 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.937 -1.102 . . . . 0.0 108.514 178.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -63.1 -42.42 99.58 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.567 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' ALA . 35.8 mt-10 -65.58 -57.45 8.15 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.204 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.17 -58.42 0.31 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.034 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.0 m-30 . . . . . 0 N--CA 1.496 1.839 0 O-C-N 121.101 -0.999 . . . . 0.0 110.545 -179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.477 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -59.63 -30.24 68.57 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.578 -1.326 . . . . 0.0 110.054 179.418 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -43.38 72.14 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.341 -0.849 . . . . 0.0 109.878 179.764 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -60.28 -53.57 56.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.271 -0.893 . . . . 0.0 110.283 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -22.19 65.83 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.33 -0.856 . . . . 0.0 109.591 179.797 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -69.93 -50.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 119.512 -0.875 . . . . 0.0 108.736 179.296 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -67.33 -23.56 65.63 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.63 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -66.96 -34.4 77.67 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.105 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -69.35 -45.89 68.3 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.535 179.265 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 5.8 mt -69.13 -25.15 64.24 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.158 -0.964 . . . . 0.0 109.316 179.303 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 12.4 tptt -67.39 -47.93 68.88 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.562 -0.711 . . . . 0.0 109.121 179.448 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.4 tt0 -64.85 -51.33 62.62 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.568 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.71 -70.06 0.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.317 178.748 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 13.5 p90 . . . . . 0 N--CA 1.486 1.359 0 O-C-N 120.96 -1.087 . . . . 0.0 110.325 179.678 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.409 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 11.1 t80 -65.14 -11.99 46.12 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.335 -1.478 . . . . 0.0 108.865 178.461 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.622 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.83 -38.25 67.2 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 178.82 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -70.16 -37.03 75.11 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.857 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -68.99 -29.13 67.27 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.884 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -77.33 -38.21 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.371 -0.83 . . . . 0.0 109.837 179.732 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.29 -23.52 61.19 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 179.078 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -74.02 -44.04 55.85 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.547 -0.721 . . . . 0.0 109.406 179.548 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -73.62 -28.27 61.72 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.428 -0.795 . . . . 0.0 110.018 179.729 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -76.92 -27.93 55.09 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.4 179.295 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -48.04 69.39 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.183 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.5 mm-40 -62.26 -52.64 62.9 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.96 -63.14 0.39 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.974 -0.454 . . . . 0.0 111.075 179.156 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CE1' HD12 ' A' ' 15' ' ' LEU . 6.2 m-30 . . . . . 0 N--CA 1.499 2.005 0 O-C-N 121.318 -0.864 . . . . 0.0 110.527 -179.685 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.502 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 37.8 t80 -69.15 -23.14 63.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.29 -1.506 . . . . 0.0 110.138 179.874 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.53 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -68.51 -47.63 66.48 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.273 -0.892 . . . . 0.0 110.197 179.805 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.77 -35.09 76.63 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.154 -0.966 . . . . 0.0 110.338 -179.894 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -26.27 62.13 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.145 -0.972 . . . . 0.0 109.859 179.753 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -77.75 -42.97 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.221 -0.924 . . . . 0.0 109.67 179.736 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.452 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -73.23 -21.84 60.56 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.299 -0.876 . . . . 0.0 109.239 178.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.71 -42.06 64.58 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.566 -0.709 . . . . 0.0 109.412 179.433 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -70.32 -39.74 74.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.485 -0.759 . . . . 0.0 109.973 179.716 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -70.32 -26.02 63.58 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.207 -0.933 . . . . 0.0 109.547 179.332 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -70.29 -51.51 29.86 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.697 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 28.1 mt-10 -58.24 -48.5 80.2 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.33 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.2 -77.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.796 -0.565 . . . . 0.0 110.21 178.882 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 41.6 p90 . . . . . 0 N--CA 1.486 1.338 0 O-C-N 121.095 -1.003 . . . . 0.0 110.356 -179.844 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.475 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 10.6 t80 -70.2 -26.61 63.96 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.215 -1.553 . . . . 0.0 109.758 179.715 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -37.78 74.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.333 -0.854 . . . . 0.0 109.494 179.385 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.98 -40.69 68.41 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.416 -0.802 . . . . 0.0 110.298 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -27.52 65.89 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.287 -0.883 . . . . 0.0 108.967 179.221 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -74.78 -49.24 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 O-C-N 121.364 -0.835 . . . . 0.0 108.901 179.382 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.515 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -63.22 -23.11 67.28 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.081 178.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -67.82 -46.61 71.37 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.796 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.13 -36.08 82.41 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.343 179.061 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.86 HD12 ' HE2' ' A' ' 19' ' ' PHE . 1.8 mm? -78.27 -21.22 50.14 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.523 -0.736 . . . . 0.0 109.406 179.317 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -68.75 -57.07 6.15 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.011 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.0 tt0 -60.96 -43.68 98.38 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.055 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -40.61 -73.33 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.102 178.75 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.86 ' HE2' HD12 ' A' ' 15' ' ' LEU . 1.1 p90 . . . . . 0 N--CA 1.487 1.389 0 O-C-N 120.903 -1.123 . . . . 0.0 110.275 179.824 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 11' ' ' VAL . 26.4 t80 -67.05 -24.56 65.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.309 -1.494 . . . . 0.0 109.917 179.737 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -62.57 1.46 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.318 -0.864 . . . . 0.0 110.554 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.81 -40.65 89.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 0.0 110.76 -179.496 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -68.05 -24.2 65.05 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.035 -1.041 . . . . 0.0 109.665 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.6 t -76.44 -41.06 35.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 O-C-N 121.405 -0.81 . . . . 0.0 109.715 179.695 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.34 -22.44 61.91 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.379 -0.825 . . . . 0.0 110.016 179.647 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -75.24 -48.98 20.8 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.342 -0.849 . . . . 0.0 109.444 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -31.58 71.78 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.494 -0.754 . . . . 0.0 109.627 179.521 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 4.9 mt -75.01 -27.36 60.09 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.377 -0.827 . . . . 0.0 108.994 179.033 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 50.5 tptt -64.7 -43.75 92.48 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.096 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.5 mt-10 -68.77 -57.18 5.99 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.412 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.8 -59.7 0.47 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.97 -0.456 . . . . 0.0 111.216 179.218 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 12.9 m-85 . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.182 -0.949 . . . . 0.0 110.716 -179.848 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -68.42 -21.56 64.66 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.184 -1.572 . . . . 0.0 110.157 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.732 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -70.14 -71.22 0.25 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.21 -0.931 . . . . 0.0 109.289 179.042 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -49.79 -32.49 14.09 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.074 -1.016 . . . . 0.0 108.7 178.713 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 20.7 mttm -66.06 -32.26 73.62 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.687 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.847 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -69.92 -34.11 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.194 179.562 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.1 -24.68 60.67 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.986 179.448 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -45.03 46.81 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 121.265 -0.897 . . . . 0.0 109.646 179.723 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -70.59 -35.12 72.85 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.313 -0.867 . . . . 0.0 109.938 179.672 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.847 HD13 ' O ' ' A' ' 11' ' ' VAL . 4.8 mp -68.69 -31.02 69.82 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.464 -0.773 . . . . 0.0 109.065 179.243 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 4.3 tptp -68.32 -46.3 70.61 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.182 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 tt0 -57.66 -63.05 1.37 Allowed 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.338 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.17 -59.79 0.42 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 122.059 -0.401 . . . . 0.0 111.116 179.22 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.9 m-30 . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.28 -0.887 . . . . 0.0 110.36 -179.981 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.494 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 51.8 t80 -57.88 -20.4 36.49 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.357 -1.464 . . . . 0.0 108.793 178.695 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.14 -51.44 53.9 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.548 0.69 . . . . 0.0 109.697 179.447 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -58.52 -52.16 66.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.869 . . . . 0.0 110.207 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 50.9 mttm -61.06 -26.41 67.62 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.214 -0.929 . . . . 0.0 108.676 179.395 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -66.6 -39.79 84.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.63 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.22 -23.79 64.85 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 120.075 -0.65 . . . . 0.0 109.667 179.204 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 1.8 mm-40 -68.02 -46.41 71.31 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.039 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 66.2 tttt -64.06 -38.26 90.41 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.001 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.568 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -76.9 -19.98 56.78 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.392 -0.818 . . . . 0.0 109.467 179.018 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -67.47 -48.9 65.81 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.501 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.551 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 13.7 pt-20 -72.33 -45.04 61.66 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.318 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 17' ' ' GLU . . . -40.34 -63.85 0.58 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.661 -0.649 . . . . 0.0 110.656 178.814 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 9.3 m-85 . . . . . 0 N--CA 1.501 2.098 0 O-C-N 121.619 -0.676 . . . . 0.0 111.128 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.578 ' CE2' ' CG2' ' A' ' 11' ' ' VAL . 61.1 t80 -70.85 -15.46 62.64 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.278 -1.514 . . . . 0.0 109.709 179.85 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.41 -59.53 2.93 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.545 -0.722 . . . . 0.0 109.857 179.829 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -57.69 -44.94 86.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.287 -0.883 . . . . 0.0 110.216 179.879 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -63.97 -26.79 68.74 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.202 -0.936 . . . . 0.0 109.142 179.582 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.578 ' CG2' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -70.89 -39.63 75.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.542 -0.724 . . . . 0.0 109.182 179.488 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -68.13 -24.35 65.0 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.528 -0.732 . . . . 0.0 110.215 179.951 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.415 ' OE1' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.2 -45.31 49.12 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.236 -0.915 . . . . 0.0 109.847 -179.984 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' CE ' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.43 -37.72 80.53 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.393 -0.817 . . . . 0.0 110.444 -179.778 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 15' ' ' LEU . 3.2 mm? -74.06 -25.59 59.92 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.127 -0.983 . . . . 0.0 109.17 179.129 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 2.2 ttmm -65.66 -44.19 87.08 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.272 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.1 tt0 -69.06 -53.29 21.18 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.358 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.89 -60.14 0.46 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 122.104 -0.372 . . . . 0.0 111.095 179.078 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.477 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.7 m-30 . . . . . 0 N--CA 1.498 1.97 0 O-C-N 121.252 -0.905 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.428 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 53.6 t80 -68.75 -19.98 64.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.198 -1.564 . . . . 0.0 110.258 179.752 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.796 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -69.43 -58.88 3.43 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.127 -0.983 . . . . 0.0 109.355 179.496 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 1.4 m-20 -54.14 -40.38 67.35 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.181 -0.949 . . . . 0.0 109.264 179.196 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -30.63 71.65 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.887 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -67.67 -34.64 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.408 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.56 61.32 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.746 0.784 . . . . 0.0 109.22 178.954 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.77 -38.88 67.17 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.527 -0.733 . . . . 0.0 109.615 179.393 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -77.51 -36.48 52.52 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.04 -179.525 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -76.0 -25.51 55.84 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.914 -1.116 . . . . 0.0 109.493 179.491 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -49.15 57.25 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.736 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' O ' ' OE2' ' A' ' 17' ' ' GLU . 5.7 tp10 -64.77 -47.0 79.76 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.012 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.49 -63.77 0.48 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.93 -0.481 . . . . 0.0 110.958 179.091 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.5 m-85 . . . . . 0 N--CA 1.502 2.141 0 O-C-N 121.178 -0.951 . . . . 0.0 110.895 -179.618 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.491 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 35.4 t80 -70.73 -21.61 62.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.293 -1.505 . . . . 0.0 109.984 179.689 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.636 ' O ' HG12 ' A' ' 11' ' ' VAL . 12.0 t80 -67.54 -61.46 1.89 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.295 -0.878 . . . . 0.0 109.933 179.727 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.37 -32.45 71.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.101 -1.0 . . . . 0.0 109.97 179.815 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -69.53 -28.68 66.23 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.325 -0.859 . . . . 0.0 109.582 179.545 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.705 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -77.46 -37.28 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.433 -0.792 . . . . 0.0 109.85 179.855 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -73.84 -23.01 59.57 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.372 -0.83 . . . . 0.0 109.787 179.584 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -75.81 -46.51 30.19 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.421 -0.799 . . . . 0.0 109.747 179.885 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -70.33 -34.67 72.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.371 -0.83 . . . . 0.0 109.885 179.731 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.705 HD13 ' O ' ' A' ' 11' ' ' VAL . 6.9 mp -76.21 -23.79 54.63 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.307 -0.87 . . . . 0.0 109.593 179.42 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.6 tttt -68.25 -49.19 62.31 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.552 -0.906 . . . . 0.0 108.552 179.265 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.9 tt0 -65.53 -50.72 64.16 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.404 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.99 -73.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.723 -0.61 . . . . 0.0 110.254 178.991 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 40.1 p90 . . . . . 0 N--CA 1.486 1.335 0 O-C-N 120.948 -1.095 . . . . 0.0 110.387 -179.917 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CE1' HG23 ' A' ' 11' ' ' VAL . 20.6 t80 -60.74 -18.68 56.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.25 -1.531 . . . . 0.0 109.568 179.327 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.421 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 4.6 t80 -71.04 -61.18 1.86 Allowed 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.502 -0.749 . . . . 0.0 109.677 179.252 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 6.0 m-20 -54.31 -42.53 70.22 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.288 -0.883 . . . . 0.0 109.404 179.345 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 13' ' ' GLU . 46.9 mtpt -69.04 -23.98 64.13 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.485 -0.759 . . . . 0.0 109.478 179.224 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.523 HG23 ' CE1' ' A' ' 7' ' ' PHE . 1.1 t -66.91 -48.03 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.501 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.474 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -68.23 -25.76 65.36 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.224 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -67.79 -26.57 66.15 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.277 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -78.01 -41.9 34.29 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.637 -0.664 . . . . 0.0 109.418 179.139 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.583 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -58.92 -36.12 74.21 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.765 -1.21 . . . . 0.0 107.751 178.417 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -60.73 -45.03 95.84 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.621 0.724 . . . . 0.0 109.291 179.301 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.4 tt0 -70.98 -67.67 0.49 Allowed 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.06 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -22.15 -59.67 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 120.869 0.366 . . . . 0.0 111.665 178.906 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 8.9 p90 . . . . . 0 N--CA 1.487 1.414 0 O-C-N 120.759 -1.213 . . . . 0.0 110.539 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.502 ' CE1' ' CG2' ' A' ' 11' ' ' VAL . 12.1 t80 -66.57 -42.91 86.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.329 -1.482 . . . . 0.0 110.415 179.856 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -30.15 60.69 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.1 -1.0 . . . . 0.0 109.964 179.747 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -80.39 -42.9 21.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.28 -0.888 . . . . 0.0 111.682 -179.195 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -30.27 71.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.332 179.875 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.502 ' CG2' ' CE1' ' A' ' 7' ' ' PHE . 7.7 t -78.69 -46.85 24.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.505 -0.747 . . . . 0.0 109.797 179.79 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -62.48 -22.9 66.6 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.302 -0.874 . . . . 0.0 109.437 179.414 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.09 -46.87 55.1 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.543 -0.723 . . . . 0.0 109.085 179.301 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -45.95 91.47 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.265 179.619 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mp -63.99 -29.44 70.6 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.006 -1.059 . . . . 0.0 108.917 179.219 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 2.3 tttp -63.12 -41.49 99.34 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.952 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -67.33 -57.84 5.89 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.62 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.92 -65.72 0.21 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.955 179.535 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 2.8 p90 . . . . . 0 N--CA 1.487 1.407 0 O-C-N 120.726 -1.234 . . . . 0.0 110.58 179.886 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.78 ' O ' HG13 ' A' ' 11' ' ' VAL . 28.9 t80 -67.89 -18.42 64.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.407 -1.433 . . . . 0.0 110.42 179.932 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.468 ' HA ' ' CG2' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -78.54 -30.09 46.76 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.07 -1.019 . . . . 0.0 110.428 -179.861 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -81.41 -37.01 28.81 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.071 -1.018 . . . . 0.0 110.101 179.672 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.86 -29.04 65.05 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.291 -0.881 . . . . 0.0 109.589 179.423 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 7' ' ' PHE . 34.2 m -80.6 -47.33 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.362 -0.836 . . . . 0.0 110.004 179.667 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.575 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -66.0 -23.39 66.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.769 179.304 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.01 -45.69 40.13 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.519 -0.738 . . . . 0.0 109.521 179.652 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -68.78 -28.81 67.12 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.336 -0.853 . . . . 0.0 110.127 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -80.01 -26.82 39.67 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.353 -0.842 . . . . 0.0 109.148 179.072 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 12.3 mttt -62.16 -46.13 90.36 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.205 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' ALA . 28.5 mm-40 -71.33 -52.12 20.51 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.342 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.81 -59.06 0.35 Allowed 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.307 179.383 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 6.3 m-30 . . . . . 0 N--CA 1.501 2.106 0 O-C-N 121.303 -0.873 . . . . 0.0 110.561 -179.624 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.517 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 21.2 t80 -62.42 -24.14 67.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.055 -1.653 . . . . 0.0 109.363 179.178 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.601 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -72.51 -38.38 68.11 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.392 -0.818 . . . . 0.0 109.974 179.668 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 6.5 m-20 -72.77 -37.06 67.75 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.096 -1.002 . . . . 0.0 110.306 -179.927 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -25.09 58.03 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.139 -0.976 . . . . 0.0 109.568 179.405 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -77.76 -37.86 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.06 -1.025 . . . . 0.0 108.746 178.932 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.5 -25.21 61.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.286 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -33.65 66.54 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.336 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -70.04 -43.69 70.77 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.64 -0.663 . . . . 0.0 109.63 179.363 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 12.3 mt -69.26 -27.45 65.45 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.161 -0.962 . . . . 0.0 108.875 178.936 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.15 -44.84 82.98 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.403 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . 18.0 tt0 -66.41 -50.9 61.87 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.313 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.15 -70.12 0.11 Allowed 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.554 178.993 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.451 ' O ' ' O ' ' A' ' 16' ' ' LYS . 4.0 p90 . . . . . 0 N--CA 1.486 1.338 0 O-C-N 121.101 -1.0 . . . . 0.0 110.551 -179.832 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.709 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.648 ' CE1' HG21 ' A' ' 11' ' ' VAL . 32.4 t80 -59.39 -22.96 62.18 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.529 -1.357 . . . . 0.0 109.368 178.936 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -71.89 -36.64 70.11 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.54 -0.725 . . . . 0.0 109.928 179.724 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -51.16 22.58 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.358 -0.839 . . . . 0.0 110.024 179.732 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -30.74 66.15 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.965 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.648 HG21 ' CE1' ' A' ' 7' ' ' PHE . 2.1 t -71.49 -47.85 56.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 178.569 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' VAL . . . -43.18 -37.31 2.04 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.257 -0.902 . . . . 0.0 109.795 179.353 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 74.7 mt-10 -71.55 -41.91 68.52 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.288 -0.883 . . . . 0.0 109.424 179.119 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -66.79 -61.25 2.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.454 -0.779 . . . . 0.0 110.755 179.837 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.592 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 1.3 tp -56.92 -27.14 60.56 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.929 -1.107 . . . . 0.0 109.048 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 13.6 ttpt -62.61 -46.28 89.01 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.232 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -67.31 -62.28 1.5 Allowed 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 178.542 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -31.27 -58.27 0.24 Allowed 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.682 179.066 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 15.3 m-30 . . . . . 0 N--CA 1.497 1.919 0 O-C-N 121.309 -0.87 . . . . 0.0 110.9 -179.406 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.424 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 1.8 t80 -68.89 -22.33 64.19 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.298 -1.501 . . . . 0.0 109.244 179.454 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -43.44 78.83 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.526 -0.734 . . . . 0.0 109.114 179.08 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -62.04 -52.84 62.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.541 -0.724 . . . . 0.0 110.308 179.816 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -59.4 -29.37 67.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.971 -1.081 . . . . 0.0 108.367 179.16 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.2 t -64.92 -40.02 87.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.965 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.87 -20.47 61.1 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.698 0.761 . . . . 0.0 109.484 178.941 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -67.24 -42.58 83.76 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.37 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -72.5 -36.07 68.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.503 -0.748 . . . . 0.0 109.919 179.51 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD23 ' HE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -66.96 -30.15 70.2 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.169 -0.957 . . . . 0.0 108.861 178.823 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' PHE . 6.3 mttt -66.14 -42.18 89.42 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.446 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' ALA . 24.2 tp10 -65.48 -56.17 13.91 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.748 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.09 -69.79 0.11 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.937 -0.477 . . . . 0.0 110.522 179.166 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.472 ' O ' ' O ' ' A' ' 16' ' ' LYS . 2.9 p90 . . . . . 0 N--CA 1.485 1.302 0 O-C-N 120.803 -1.185 . . . . 0.0 110.465 -179.936 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 9.7 t80 -70.78 -28.58 64.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.487 -1.383 . . . . 0.0 110.647 -179.845 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.707 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -65.48 -66.17 0.58 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.305 -0.872 . . . . 0.0 110.208 179.821 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -52.58 -39.04 61.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 110.37 -179.736 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 3.1 mttp -66.37 -29.18 69.3 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.18 -0.95 . . . . 0.0 109.414 179.826 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -73.59 -34.58 42.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.799 179.745 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -72.67 -23.9 60.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 110.178 179.617 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -77.19 -47.94 18.95 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.232 -0.917 . . . . 0.0 110.212 -179.655 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -69.16 -37.81 78.42 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.36 -0.837 . . . . 0.0 110.289 -179.718 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.807 HD22 ' CE1' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -76.14 -24.72 54.89 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.236 -0.915 . . . . 0.0 109.383 179.224 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.9 tppp? -67.38 -45.69 75.5 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.115 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -65.84 -50.76 63.43 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.988 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.43 -60.63 0.57 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.783 178.77 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.807 ' CE1' HD22 ' A' ' 15' ' ' LEU . 14.9 m-85 . . . . . 0 N--CA 1.498 1.961 0 O-C-N 121.069 -1.02 . . . . 0.0 110.585 -179.922 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -63.13 -18.59 63.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.378 -1.451 . . . . 0.0 109.391 179.087 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.535 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.8 t80 -70.13 -48.28 58.18 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.137 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 18.3 t0 -70.42 -26.75 63.82 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.221 -0.924 . . . . 0.0 109.337 179.066 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -29.33 62.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.835 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -71.89 -44.29 67.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.617 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -68.26 -23.88 64.82 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.152 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -71.39 -31.06 66.86 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.948 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -49.78 47.08 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.79 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 3.6 mm? -65.84 -27.66 68.4 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.223 -0.923 . . . . 0.0 108.639 178.47 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 24.3 ttmt -65.06 -41.85 94.74 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.259 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 18' ' ' ALA . 17.0 tp10 -69.07 -60.48 2.32 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 178.655 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -33.47 -58.03 0.41 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.956 -0.465 . . . . 0.0 111.131 179.154 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 12.1 m-30 . . . . . 0 N--CA 1.498 1.929 0 O-C-N 121.015 -1.053 . . . . 0.0 110.64 -179.967 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -65.51 -20.8 66.49 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.231 -1.543 . . . . 0.0 109.532 179.348 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -37.84 70.58 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.45 -0.781 . . . . 0.0 109.873 179.433 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -69.66 -49.77 50.39 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.324 -0.86 . . . . 0.0 110.003 179.807 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -61.37 -28.14 69.02 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.28 -0.887 . . . . 0.0 108.663 179.354 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -76.07 -38.44 35.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.088 179.817 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.59 -25.51 64.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.274 -0.891 . . . . 0.0 109.904 179.29 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.52 -43.16 60.66 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.384 -0.822 . . . . 0.0 109.029 179.54 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -72.16 -27.27 62.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.46 -0.775 . . . . 0.0 110.211 179.723 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.611 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 23.7 tp -77.67 -28.92 51.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.265 -0.897 . . . . 0.0 108.966 179.238 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 17.6 tttt -70.76 -54.06 13.13 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.995 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' ALA . 21.2 tp10 -56.68 -44.68 81.68 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.59 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -39.73 -65.66 0.37 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.58 178.667 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CZ ' ' HG ' ' A' ' 15' ' ' LEU . 17.8 m-85 . . . . . 0 N--CA 1.501 2.078 0 O-C-N 121.499 -0.751 . . . . 0.0 111.092 -179.671 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.446 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 58.3 t80 -73.02 -19.04 61.27 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.577 -1.327 . . . . 0.0 110.057 179.859 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.516 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -75.62 -35.92 60.37 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.191 -0.943 . . . . 0.0 108.775 179.132 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 66.5 m-20 -71.46 -36.97 71.38 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.505 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -28.93 66.64 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.509 -0.744 . . . . 0.0 109.062 178.794 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -75.46 -42.69 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.367 179.625 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -68.18 -24.79 65.0 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.438 -0.789 . . . . 0.0 109.278 179.016 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 27.8 mm-40 -72.92 -39.83 65.96 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.594 -0.691 . . . . 0.0 109.415 179.401 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -68.84 -40.61 79.34 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.323 -0.861 . . . . 0.0 109.679 179.548 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.594 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 35.2 mt -71.35 -27.33 63.29 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.343 -0.848 . . . . 0.0 109.021 179.055 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -40.91 85.45 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.626 0.727 . . . . 0.0 109.068 179.622 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 18' ' ' ALA . 6.9 tt0 -71.65 -55.06 8.45 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.651 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -39.16 -70.64 0.1 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.768 -0.583 . . . . 0.0 110.811 179.273 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 17.9 p90 . . . . . 0 N--CA 1.487 1.39 0 O-C-N 120.799 -1.188 . . . . 0.0 110.491 -179.675 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 2.0 t80 -67.73 -19.06 65.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.355 -1.466 . . . . 0.0 109.702 179.369 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.557 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.2 t80 -71.16 -41.41 70.42 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.187 -0.945 . . . . 0.0 108.729 179.023 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.69 -37.46 82.33 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.292 -0.88 . . . . 0.0 109.361 179.177 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -71.77 -25.24 61.95 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.387 -0.821 . . . . 0.0 109.189 179.151 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -73.18 -42.92 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.393 -0.817 . . . . 0.0 108.925 179.349 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.445 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -70.6 -20.66 62.74 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 178.992 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 4.9 tp10 -71.76 -43.66 65.37 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.366 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -40.73 77.78 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.48 -0.763 . . . . 0.0 109.414 179.152 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 4.5 mp -68.46 -28.31 66.93 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.588 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 4.7 ttmt -67.59 -38.2 83.67 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.337 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -70.61 -54.37 12.28 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.408 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.9 -73.77 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.865 -0.522 . . . . 0.0 110.201 178.894 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 17.4 p90 . . . . . 0 N--CA 1.486 1.326 0 O-C-N 120.925 -1.109 . . . . 0.0 110.636 -179.611 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.444 0.164 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 11' ' ' VAL . 27.4 t80 -71.44 -14.39 62.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.238 -1.539 . . . . 0.0 110.788 -179.53 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -75.54 -46.8 29.93 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.136 -0.978 . . . . 0.0 110.022 -179.905 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -65.47 -43.33 90.61 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.375 -0.828 . . . . 0.0 110.277 -179.894 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.44 ' HA ' ' CD ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -62.37 -31.84 72.55 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.034 -1.041 . . . . 0.0 108.634 179.161 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.5 t -68.27 -39.5 81.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.01 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -65.31 -28.23 69.17 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.522 -0.736 . . . . 0.0 109.355 178.797 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.44 ' CD ' ' HA ' ' A' ' 10' ' ' LYS . 9.9 mt-10 -66.41 -38.0 86.49 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.109 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -45.82 74.41 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.514 -0.741 . . . . 0.0 109.614 179.056 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.529 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -66.48 -26.2 67.07 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.218 -0.926 . . . . 0.0 109.1 179.144 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.62 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.58 -46.18 76.84 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.979 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.5 mm-40 -61.33 -60.04 4.35 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.168 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.42 -58.58 0.48 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.052 178.972 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 . . . . . 0 N--CA 1.498 1.964 0 O-C-N 121.189 -0.944 . . . . 0.0 110.673 -179.974 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.313 0.102 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.531 ' CE1' HG21 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -73.14 -18.48 61.28 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 120.309 -1.495 . . . . 0.0 109.949 -179.917 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -76.15 -57.37 3.91 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.286 -0.884 . . . . 0.0 110.36 -179.953 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.82 -42.24 83.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.138 -0.976 . . . . 0.0 110.391 -179.721 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -67.82 -27.26 66.57 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.2 -0.937 . . . . 0.0 109.34 179.754 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.531 HG21 ' CE1' ' A' ' 7' ' ' PHE . 1.3 t -76.97 -50.62 20.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.441 -0.787 . . . . 0.0 109.603 179.771 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -61.17 -24.44 66.31 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.442 -0.786 . . . . 0.0 109.653 179.556 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.66 -45.81 60.83 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.478 -0.764 . . . . 0.0 109.463 179.696 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -45.53 80.52 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.704 179.847 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 51.7 mt -62.99 -29.56 70.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.91 -1.119 . . . . 0.0 108.694 179.126 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -62.66 -39.5 94.12 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.876 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.8 mt-10 -70.47 -60.08 2.47 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.532 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.39 -64.75 0.23 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.973 -0.454 . . . . 0.0 111.073 179.406 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.593 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 3.1 p90 . . . . . 0 N--CA 1.487 1.402 0 O-C-N 120.671 -1.268 . . . . 0.0 110.498 179.78 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.451 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 6.2 t80 -69.1 -18.78 64.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.364 -1.46 . . . . 0.0 109.803 179.662 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.493 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -71.77 -64.3 0.96 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.342 -0.849 . . . . 0.0 109.383 179.6 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 6.4 t0 -59.44 -29.4 67.75 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.614 179.337 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 7.0 mmtt -71.57 -28.54 63.91 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.294 -0.879 . . . . 0.0 109.237 179.119 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -69.99 -44.88 78.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.976 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -71.45 -21.7 61.92 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.289 178.78 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -73.13 -36.63 66.74 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.655 -0.653 . . . . 0.0 109.637 179.569 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -75.69 -37.9 59.13 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.475 -0.765 . . . . 0.0 110.359 -179.853 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.573 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 5.8 mt -73.65 -26.12 60.6 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.153 -0.967 . . . . 0.0 109.383 179.278 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 15.3 tttt -70.45 -50.39 38.8 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.233 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.3 -46.25 90.51 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.168 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.91 -73.19 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.757 -0.589 . . . . 0.0 110.14 179.047 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 18.5 p90 . . . . . 0 N--CA 1.486 1.358 0 O-C-N 120.899 -1.125 . . . . 0.0 110.17 179.784 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.489 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 48.0 t80 -69.35 -20.26 63.85 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.337 -1.477 . . . . 0.0 109.785 179.552 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.7 t80 -68.07 -50.75 53.15 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.356 -0.84 . . . . 0.0 110.194 179.829 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.44 -35.27 78.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.192 -0.943 . . . . 0.0 110.458 -179.744 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -30.26 69.49 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.174 -0.954 . . . . 0.0 109.344 179.431 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -75.48 -41.22 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.467 -0.771 . . . . 0.0 109.769 179.81 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -71.39 -22.25 61.9 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.35 -0.844 . . . . 0.0 109.654 179.409 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -43.76 62.33 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.574 -0.703 . . . . 0.0 109.444 179.549 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -70.01 -35.19 74.17 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.931 179.61 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 8.0 mp -74.88 -24.23 58.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.197 -0.939 . . . . 0.0 109.413 179.222 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -68.59 -50.21 53.39 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.04 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -62.66 -48.44 79.32 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.376 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.32 -76.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.884 -0.51 . . . . 0.0 110.286 178.904 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 13.9 p90 . . . . . 0 N--CA 1.487 1.386 0 O-C-N 120.975 -1.078 . . . . 0.0 110.47 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.612 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.63 -26.96 64.67 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.252 -0.905 . . . . 0.0 109.697 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.098 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -59.99 -28.04 67.37 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.642 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.87 -50.38 24.21 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.5 ttmt -51.54 -27.4 10.74 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 104.717 -2.327 . . . . 0.0 104.717 175.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.098 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.78 -45.17 62.48 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.453 -1.248 . . . . 0.0 110.521 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.487 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 53.0 t80 -70.0 -23.4 63.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.274 -1.516 . . . . 0.0 110.036 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.643 ' O ' HG12 ' A' ' 11' ' ' VAL . 4.5 t80 -67.25 -63.0 1.15 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.233 -0.917 . . . . 0.0 109.771 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -60.1 -31.5 70.09 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.194 -0.941 . . . . 0.0 109.907 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.54 -28.83 66.35 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.317 -0.865 . . . . 0.0 109.582 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.772 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -77.32 -37.31 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.353 -0.842 . . . . 0.0 109.767 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.64 -23.6 60.93 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.391 -0.818 . . . . 0.0 109.766 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -75.56 -46.13 33.78 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.475 -0.766 . . . . 0.0 109.805 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -67.19 -40.83 86.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.394 -0.816 . . . . 0.0 109.852 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 11' ' ' VAL . 5.2 mp -71.93 -24.55 61.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.245 -0.909 . . . . 0.0 109.405 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 1.4 ttmt -68.1 -47.99 66.72 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.0 tt0 -65.03 -53.53 44.54 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -39.8 -72.44 0.06 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.816 -0.553 . . . . 0.0 110.369 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 43.3 p90 -111.69 40.5 2.11 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 120.96 -1.087 . . . . 0.0 110.315 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.516 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.645 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.96 -22.71 65.02 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.089 -1.007 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.108 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -61.91 -29.66 70.36 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 177.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.683 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -73.92 -48.19 32.5 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -177.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.2 tttt -52.31 -26.45 12.16 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 175.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.108 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.06 -50.6 32.1 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 114.603 -1.181 . . . . 0.0 110.976 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.488 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 51.9 t80 -71.86 -22.75 61.48 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.043 -1.661 . . . . 0.0 110.273 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.472 ' O ' HG12 ' A' ' 11' ' ' VAL . 66.9 t80 -69.22 -61.42 1.8 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.354 -0.841 . . . . 0.0 109.796 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 1.6 p30 -56.66 -37.18 70.45 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.975 -1.078 . . . . 0.0 109.758 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -62.82 -33.85 76.08 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.488 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -72.47 -37.02 56.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.412 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.17 -23.04 65.74 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.538 -0.726 . . . . 0.0 109.654 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.55 -50.94 22.15 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.618 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -69.12 -18.77 64.01 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.217 178.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.532 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -85.01 -26.23 27.2 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.653 0.74 . . . . 0.0 109.013 179.213 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -64.73 -47.33 78.65 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.009 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.3 mp0 -74.7 -48.25 26.96 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 14' ' ' LYS . . . -35.35 -61.41 0.44 Allowed 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.48 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 11.7 m-85 -29.12 94.17 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.596 -0.69 . . . . 0.0 111.318 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.471 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.307 -1.251 0 O-C-N 119.896 -1.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.739 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -72.4 -33.39 67.13 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.148 -0.97 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.114 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -57.81 -26.24 61.71 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 177.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.33 -49.23 23.77 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' LEU . 8.7 tttt -51.72 -27.75 12.86 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.114 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -67.32 -51.43 52.61 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.986 177.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 11' ' ' VAL . 22.2 t80 -63.56 -37.88 88.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.189 -1.569 . . . . 0.0 109.952 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.48 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -63.61 -23.05 67.22 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.263 -0.898 . . . . 0.0 109.371 179.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 86.2 m-20 -83.52 -40.88 18.6 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.288 -0.883 . . . . 0.0 110.99 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -33.26 75.57 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.938 -1.101 . . . . 0.0 108.842 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.585 HG23 ' N ' ' A' ' 12' ' ' ALA . 32.6 m -76.41 -45.46 34.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 C-N-CA 119.671 -0.811 . . . . 0.0 109.642 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.585 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -61.87 -24.13 66.73 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.405 -0.809 . . . . 0.0 110.025 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -48.41 39.31 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -22.35 65.55 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.789 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 2.9 mm? -84.67 -25.88 28.16 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -63.52 -45.93 88.36 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.111 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 mt-10 -71.53 -52.75 16.58 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.8 -59.42 0.48 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.998 -0.439 . . . . 0.0 111.408 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 16.0 m-85 -34.27 -61.1 0.39 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.269 -0.894 . . . . 0.0 110.923 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.429 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.515 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 28.2 t0 -74.05 -31.77 63.02 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.304 -0.873 . . . . 0.0 110.256 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.108 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -59.46 -26.85 65.57 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.661 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.37 -48.93 24.96 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -177.441 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.515 ' HD3' ' HA ' ' A' ' 2' ' ' ASP . 1.6 mptp? -51.48 -27.22 9.87 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 175.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.108 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.05 -54.29 15.9 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.1 178.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.6 -23.03 63.47 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.069 -1.644 . . . . 0.0 110.806 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.8 -34.27 71.58 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.167 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -67.37 -50.17 60.87 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.435 -0.791 . . . . 0.0 109.833 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -61.88 -29.26 70.08 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -66.36 -40.54 86.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.584 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . . . -67.14 -26.97 66.94 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.841 -0.743 . . . . 0.0 109.44 179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -34.7 78.03 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-O 121.668 0.747 . . . . 0.0 109.139 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -72.09 -54.38 9.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.793 -0.567 . . . . 0.0 111.727 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.986 HD12 ' N ' ' A' ' 16' ' ' LYS . 4.5 pp -57.36 -32.72 67.05 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.708 -1.245 . . . . 0.0 108.825 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.986 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -67.99 -40.03 83.15 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . 25.1 tp10 -61.16 -61.94 2.2 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.05 -70.94 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.327 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 43.4 p90 -112.22 155.87 23.3 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.858 -1.151 . . . . 0.0 110.223 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.937 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.678 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 5.0 m-20 -71.72 -28.75 63.9 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.136 -0.977 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.085 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -60.11 -27.87 67.38 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -74.89 -50.67 16.14 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -177.374 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -51.16 -28.71 11.7 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 175.034 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.085 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.58 -40.28 66.73 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-N 114.071 -1.422 . . . . 0.0 109.57 176.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' LEU . 8.2 t80 -66.88 -21.61 66.0 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 120.523 -1.361 . . . . 0.0 109.579 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -70.82 -67.36 0.51 Allowed 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.523 -0.735 . . . . 0.0 109.75 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.412 ' OD2' ' O ' ' A' ' 5' ' ' LYS . 1.3 p30 -53.02 -36.15 60.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.278 -0.889 . . . . 0.0 109.564 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 1.7 tptt -73.14 -24.25 60.56 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.309 -0.869 . . . . 0.0 109.361 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.1 t -70.46 -46.35 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -69.11 -23.81 64.04 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.468 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -67.68 -37.43 82.32 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -71.08 -34.87 71.58 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.53 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 3.1 mt -70.73 -29.77 66.12 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.628 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 5.0 mttp -66.74 -45.19 79.43 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' ALA . 30.6 tt0 -62.18 -57.09 12.79 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.09 -59.53 0.61 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.941 -0.475 . . . . 0.0 111.026 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 6.0 m-30 -36.96 106.19 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.233 -0.917 . . . . 0.0 110.412 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.779 -1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.737 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -81.17 -39.17 25.91 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.302 -0.874 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.092 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.6 p-90 -57.85 -27.47 63.24 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.648 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.53 -51.8 18.35 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.515 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' LEU . 1.9 mmmm -51.29 -27.29 9.05 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 175.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.092 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.74 -42.15 64.37 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.527 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.527 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 16.8 t80 -74.74 -21.56 59.28 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.332 -1.48 . . . . 0.0 110.724 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.448 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -75.27 -64.51 1.04 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.28 -0.887 . . . . 0.0 110.498 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 7.8 p-10 -55.82 -37.02 68.12 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.915 . . . . 0.0 110.016 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.49 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 17.6 ttpt -64.14 -33.4 75.68 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -69.47 -37.97 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.014 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.78 -22.36 62.39 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.613 -0.679 . . . . 0.0 109.704 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.85 -42.92 66.34 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.482 -0.762 . . . . 0.0 109.243 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -74.85 -36.64 62.34 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.362 -0.935 . . . . 0.0 110.762 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.579 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 19.3 mt -73.63 -24.73 60.06 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.119 -0.988 . . . . 0.0 109.797 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -51.68 20.32 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.259 -0.901 . . . . 0.0 109.029 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.5 tt0 -60.46 -55.8 29.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -37.78 -63.55 0.46 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.862 -0.524 . . . . 0.0 110.946 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 15' ' ' LEU . 9.6 m-30 -34.26 103.05 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.29 -0.881 . . . . 0.0 111.017 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.434 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.642 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -27.33 66.44 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.093 -1.004 . . . . 0.0 109.613 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.116 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -60.41 -27.04 67.14 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 177.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.633 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.68 -51.57 18.82 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -177.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -50.47 -29.41 10.31 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 175.488 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.116 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -66.87 -47.63 71.29 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.784 177.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.784 ' O ' HG22 ' A' ' 11' ' ' VAL . 66.3 t80 -62.15 -26.52 68.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.315 -1.491 . . . . 0.0 110.0 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -32.16 70.28 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.137 -0.977 . . . . 0.0 109.899 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 9.0 m-20 -81.84 -28.26 33.15 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.99 -1.069 . . . . 0.0 109.9 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' O ' ' HD3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -73.07 -32.76 65.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 109.218 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 7' ' ' PHE . 10.9 m -79.45 -41.87 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.889 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -70.11 -22.72 62.99 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.027 -1.046 . . . . 0.0 109.996 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 18.5 tt0 -76.24 -48.77 19.08 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.358 -0.838 . . . . 0.0 110.29 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.554 ' CG ' ' N ' ' A' ' 15' ' ' LEU . 10.5 pttm -64.59 -45.39 87.18 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.796 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.591 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 19.2 mt -67.82 -26.04 65.87 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.406 -0.809 . . . . 0.0 109.183 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -65.46 -47.28 76.67 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.332 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -65.04 -48.96 72.01 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 178.395 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.68 -74.29 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.766 -0.584 . . . . 0.0 110.15 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 2.0 p90 -91.55 42.36 1.1 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.986 -1.071 . . . . 0.0 110.576 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.81 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -76.63 -32.2 57.87 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.1 -1.0 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.086 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -59.62 -27.29 66.18 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.97 -53.04 14.27 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -178.069 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.3 tptt -51.63 -26.31 8.71 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 175.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.086 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -68.68 -49.52 58.34 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.286 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' O ' HG23 ' A' ' 11' ' ' VAL . 4.8 t80 -66.54 -23.21 66.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 119.984 -1.697 . . . . 0.0 110.057 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -31.36 45.75 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.153 -0.967 . . . . 0.0 109.66 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -70.59 -52.0 24.52 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.405 -0.809 . . . . 0.0 109.331 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 6' ' ' ALA . 24.7 mtmt -63.89 -25.68 68.26 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.0 t -70.04 -41.77 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.78 -22.24 60.87 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.492 -0.755 . . . . 0.0 109.317 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -72.39 -36.99 68.82 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.664 -0.647 . . . . 0.0 109.642 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 19.1 mtpt -78.41 -38.58 41.2 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.5 -0.75 . . . . 0.0 110.268 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD23 ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -69.42 -28.1 65.85 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.157 -0.964 . . . . 0.0 108.895 179.034 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 19' ' ' PHE . 1.8 tttt -69.5 -48.65 59.92 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -48.21 82.48 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.17 -75.48 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.779 -0.576 . . . . 0.0 110.728 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.542 ' CE2' HD23 ' A' ' 15' ' ' LEU . 24.5 p90 -105.59 176.22 5.24 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.853 -1.155 . . . . 0.0 110.666 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 O-C-N 119.993 -1.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -68.58 -29.14 67.62 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.153 -0.967 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.105 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.6 p-90 -58.13 -28.23 64.48 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.665 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.02 -51.61 15.34 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -177.579 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.04 -26.35 6.12 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 175.134 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.105 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.69 -46.24 54.73 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 114.55 -1.204 . . . . 0.0 110.58 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.561 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 2.7 t80 -73.36 -22.46 60.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.185 -1.572 . . . . 0.0 110.328 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.536 ' O ' HG12 ' A' ' 11' ' ' VAL . 17.6 t80 -78.7 -43.16 26.56 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.135 -0.978 . . . . 0.0 110.404 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 9.8 t70 -69.75 -38.12 76.69 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.217 -0.927 . . . . 0.0 110.326 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 6' ' ' ALA . 26.8 mmtt -70.83 -28.62 64.74 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.205 -0.934 . . . . 0.0 109.237 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.561 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -70.41 -43.55 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 119.332 -0.947 . . . . 0.0 108.683 179.145 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.459 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -72.52 -20.72 61.3 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 121.696 0.76 . . . . 0.0 109.124 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -67.67 -40.55 84.44 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.557 0.694 . . . . 0.0 109.156 179.521 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -48.54 63.18 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.136 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.549 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 6.9 mp -70.29 -21.61 62.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.03 -1.043 . . . . 0.0 109.423 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 5.5 tttt -67.76 -48.6 65.94 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -67.86 -52.93 30.98 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.533 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.54 -61.04 0.48 Allowed 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.838 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 12.6 m-30 -35.56 -42.38 0.23 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.283 -0.885 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.763 -1.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.654 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -76.87 -34.79 57.77 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.132 -0.98 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.103 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.7 p-90 -57.12 -26.35 60.36 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.634 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.2 -51.25 22.0 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -177.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' LEU . 13.5 ttpt -51.32 -27.94 10.86 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 175.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.103 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.29 -43.04 67.9 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.434 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 14.3 t80 -65.84 -35.54 80.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.263 -1.523 . . . . 0.0 110.269 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.507 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -66.97 -32.85 74.37 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.12 -0.987 . . . . 0.0 110.01 179.663 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.38 -45.99 57.29 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.094 -1.004 . . . . 0.0 110.732 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -66.73 -28.71 68.64 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.184 -0.947 . . . . 0.0 109.125 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -79.03 -38.26 20.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.622 179.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.2 63.28 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.242 -0.911 . . . . 0.0 109.425 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.4 -43.93 59.48 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.424 -0.798 . . . . 0.0 109.006 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -66.24 -38.53 88.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.397 -0.814 . . . . 0.0 109.717 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.624 HD12 ' CE1' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -70.97 -28.08 64.2 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.08 -1.012 . . . . 0.0 108.902 178.811 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.1 ttmm -66.77 -43.0 85.17 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.5 tm-20 -65.91 -58.0 6.57 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.21 -60.49 0.56 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 122.004 -0.435 . . . . 0.0 110.852 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.624 ' CE1' HD12 ' A' ' 15' ' ' LEU . 10.1 m-85 -36.49 113.25 0.22 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.218 -0.926 . . . . 0.0 110.653 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.741 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -32.17 58.91 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.316 -0.865 . . . . 0.0 110.52 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.117 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -57.67 -26.69 62.03 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 178.075 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.643 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.95 -49.21 20.84 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -177.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' LEU . 6.0 ttmt -50.08 -27.42 5.62 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 175.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.117 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.77 -52.05 28.67 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.284 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 4.8 t80 -66.23 -45.37 80.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.288 -1.508 . . . . 0.0 110.211 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.532 ' O ' HG12 ' A' ' 11' ' ' VAL . 7.5 t80 -51.32 -37.52 48.16 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.926 -1.109 . . . . 0.0 109.493 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -76.08 -30.36 58.3 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.145 -0.972 . . . . 0.0 110.111 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -30.15 67.81 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.331 -0.856 . . . . 0.0 109.548 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.562 ' CG1' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -80.27 -49.78 18.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.775 -179.762 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.815 ' HA ' HD21 ' A' ' 15' ' ' LEU . . . -55.73 -34.39 65.12 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.906 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.9 -29.74 62.23 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.429 -0.794 . . . . 0.0 109.234 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -68.39 -66.26 0.59 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.494 -0.754 . . . . 0.0 109.996 179.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.815 HD21 ' HA ' ' A' ' 12' ' ' ALA . 1.3 pp -50.28 -34.29 22.87 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 107.605 -1.258 . . . . 0.0 107.605 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.73 -35.81 75.31 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.683 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 18' ' ' ALA . 8.3 tt0 -74.45 -63.76 1.17 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -31.8 -64.34 0.16 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 120.808 0.337 . . . . 0.0 110.83 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 15' ' ' LEU . 32.2 p90 -117.4 -165.5 1.09 Allowed 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.005 -1.059 . . . . 0.0 110.061 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.866 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.403 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.629 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -62.23 -27.32 68.91 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.132 -0.98 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.1 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.9 p-90 -59.06 -29.12 67.07 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 177.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.661 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.74 -50.21 26.03 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -177.148 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.51 -29.12 15.57 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 175.18 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.1 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.09 -39.58 72.06 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.145 -1.389 . . . . 0.0 109.85 177.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.697 ' O ' HG13 ' A' ' 11' ' ' VAL . 17.1 t80 -66.46 -33.88 76.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.377 -1.452 . . . . 0.0 109.438 179.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.505 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -68.42 -25.94 65.28 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.248 -0.908 . . . . 0.0 108.995 178.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.05 -39.74 33.11 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.427 -0.796 . . . . 0.0 110.457 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -70.12 -28.14 65.15 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.214 -0.929 . . . . 0.0 109.442 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 7' ' ' PHE . 27.3 m -81.16 -46.55 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.665 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.563 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -67.36 -21.32 65.63 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.48 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -49.54 19.44 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 121.51 0.672 . . . . 0.0 109.434 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -31.87 72.82 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.431 -0.793 . . . . 0.0 109.666 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.584 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 50.3 mt -77.13 -25.78 52.47 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.422 -0.799 . . . . 0.0 109.198 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -68.49 -49.54 58.99 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -46.18 82.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.0 -76.11 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.729 -0.607 . . . . 0.0 110.219 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 16.7 p90 -99.7 38.41 1.45 Allowed 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.985 -1.072 . . . . 0.0 110.506 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.668 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 3.8 m-20 -75.26 -33.25 61.27 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.155 -0.966 . . . . 0.0 110.152 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.126 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -57.39 -25.03 58.88 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 177.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.64 -48.87 29.12 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -178.458 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' LEU . 1.3 tttt -50.86 -27.56 7.7 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 104.791 -2.299 . . . . 0.0 104.791 175.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.126 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -68.82 -52.41 30.38 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.39 177.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.478 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 61.7 t80 -59.95 -18.92 49.01 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.271 -1.518 . . . . 0.0 108.764 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.486 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -69.61 -45.9 67.49 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -56.56 -53.37 58.31 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.437 -0.79 . . . . 0.0 109.145 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -65.59 -20.65 66.4 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.289 -0.882 . . . . 0.0 108.799 178.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -63.84 -46.39 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.504 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -63.2 -30.14 71.35 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -67.21 -25.58 66.18 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 11' ' ' VAL . 16.1 mttt -71.1 -58.41 3.58 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.697 -0.627 . . . . 0.0 109.793 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.574 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 2.4 mp -60.7 -28.5 68.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.024 -1.048 . . . . 0.0 108.425 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -61.62 -42.9 99.54 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.348 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' O ' ' C ' ' A' ' 18' ' ' ALA . 6.4 tt0 -72.76 -61.91 1.64 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.76 -54.18 0.11 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 122.123 -0.36 . . . . 0.0 111.719 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 12.6 m-85 -38.85 -27.59 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.989 -1.07 . . . . 0.0 110.431 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.48 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.219 -0.53 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 1.4 m-20 -70.2 -24.81 63.18 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.963 -1.086 . . . . 0.0 109.798 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.098 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -61.54 -27.7 68.8 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 177.539 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.591 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -70.31 -50.86 34.93 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 -178.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' LEU . 27.8 mttp -51.97 -26.61 10.91 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 175.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.098 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.53 -53.89 16.82 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.486 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.524 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 45.8 t80 -66.21 -27.02 67.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 119.93 -1.731 . . . . 0.0 110.393 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.53 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -65.11 -44.35 89.05 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.25 -0.906 . . . . 0.0 109.687 179.53 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -62.16 -47.26 85.29 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -67.99 -21.82 65.04 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.216 -0.927 . . . . 0.0 109.589 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -71.18 -44.59 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.3 -0.875 . . . . 0.0 109.265 179.764 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -69.79 -22.75 63.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.596 -0.69 . . . . 0.0 109.892 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -72.53 -40.7 66.57 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.325 -0.859 . . . . 0.0 109.228 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.26 -20.05 52.45 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.509 -0.744 . . . . 0.0 109.903 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.2 mp -79.33 -31.11 43.03 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.187 -0.946 . . . . 0.0 108.524 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 24.0 tttt -65.49 -47.38 76.21 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -42.31 92.94 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -44.84 -74.6 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.876 -0.515 . . . . 0.0 110.734 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -103.59 11.18 36.49 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.789 -1.194 . . . . 0.0 110.796 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.516 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.648 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 1.3 m-20 -69.62 -28.21 65.73 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.1 -1.0 . . . . 0.0 109.568 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.098 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -60.1 -27.43 67.0 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.14 -48.81 26.92 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -178.026 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -51.53 -27.97 12.34 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.368 -2.456 . . . . 0.0 104.368 175.155 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.098 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.75 -44.88 63.31 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.646 177.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.517 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 25.6 t80 -70.58 -22.79 62.53 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.263 -1.523 . . . . 0.0 110.44 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.618 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.03 -64.27 0.94 Allowed 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.035 -1.041 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 5' ' ' LYS . 7.8 p-10 -54.59 -28.57 47.24 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.016 -1.052 . . . . 0.0 109.309 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -29.8 61.64 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -76.69 -37.94 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.455 -0.778 . . . . 0.0 109.888 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 16' ' ' LYS . . . -72.18 -26.28 62.01 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.336 -0.853 . . . . 0.0 109.302 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.75 -30.94 51.78 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.475 -0.766 . . . . 0.0 109.961 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -76.65 -48.55 18.69 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.165 -0.959 . . . . 0.0 109.91 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.508 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 2.3 mm? -70.38 -24.69 62.99 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.284 -0.885 . . . . 0.0 109.336 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 16.4 ttmt -71.62 -50.82 27.15 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.487 -0.758 . . . . 0.0 109.037 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -44.28 95.62 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.13 -75.56 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.097 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 16' ' ' LYS . 19.2 p90 -106.1 -155.99 0.56 Allowed 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.848 -1.158 . . . . 0.0 110.563 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.734 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.68 -35.36 62.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.165 -0.959 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.08 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -57.88 -25.77 61.22 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 177.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.633 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.45 -53.24 12.73 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.511 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 0.8 OUTLIER -52.74 -26.23 13.51 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 175.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.08 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -66.25 -52.97 42.4 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.853 178.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' O ' HG22 ' A' ' 11' ' ' VAL . 5.2 t80 -72.08 -40.91 67.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.056 -1.653 . . . . 0.0 109.69 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' C ' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -59.27 -19.09 43.07 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.243 -0.911 . . . . 0.0 109.262 178.834 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -83.79 -45.33 13.44 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.459 -0.776 . . . . 0.0 111.229 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -32.47 74.03 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.96 -1.088 . . . . 0.0 108.817 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.565 HG23 ' N ' ' A' ' 12' ' ' ALA . 34.0 m -75.88 -44.77 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.488 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.565 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -62.04 -23.83 66.7 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.311 -0.868 . . . . 0.0 109.514 179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.99 -47.12 63.46 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -66.25 -24.95 66.67 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 119.495 -0.882 . . . . 0.0 109.155 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.489 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -77.02 -30.24 55.71 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -63.83 -41.97 97.74 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.9 tt0 -70.37 -59.15 3.03 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.31 -57.51 0.49 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.934 -0.479 . . . . 0.0 111.382 179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 8.1 m-30 -36.54 99.72 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.144 -0.972 . . . . 0.0 110.733 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 119.936 -1.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.593 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -68.4 -24.48 64.77 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.081 -1.012 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.153 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -60.82 -28.03 68.49 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 177.765 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.86 -47.51 37.79 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 -178.523 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 4' ' ' LEU . 9.7 mmmt -51.29 -27.87 10.55 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 175.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.153 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.23 -50.28 41.45 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 114.44 -1.255 . . . . 0.0 110.308 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.63 ' O ' HG13 ' A' ' 11' ' ' VAL . 55.0 t80 -68.06 -20.94 65.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.336 -1.478 . . . . 0.0 109.966 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.536 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.5 t80 -73.06 -35.05 66.62 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.234 -0.916 . . . . 0.0 109.455 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 28.4 t70 -77.7 -34.63 52.74 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.342 -0.849 . . . . 0.0 109.627 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -68.08 -29.82 68.86 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.269 -0.895 . . . . 0.0 109.304 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 7' ' ' PHE . 27.2 m -81.08 -43.38 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 119.566 -0.854 . . . . 0.0 110.724 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -68.5 -25.4 64.94 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.12 -0.987 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -82.38 -37.29 25.82 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.236 -0.915 . . . . 0.0 110.612 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -33.42 66.68 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.986 -1.071 . . . . 0.0 110.098 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.587 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.4 mm? -82.65 -25.17 33.34 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.222 -0.924 . . . . 0.0 108.787 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -66.52 -49.93 64.87 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.134 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.5 mm-40 -67.27 -44.92 78.13 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.19 -75.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.804 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 7.6 p90 -91.9 142.53 27.46 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.018 -1.051 . . . . 0.0 110.18 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.44 0 O-C-N 119.94 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.415 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.218 -0.603 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -68.5 -26.16 65.32 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.096 -1.002 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.094 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -60.32 -27.89 67.7 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 177.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.627 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.41 -51.23 21.3 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -177.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 4' ' ' LEU . 14.8 ttpt -51.53 -27.33 10.47 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 175.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.094 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.53 -46.74 63.04 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.309 177.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.48 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 67.9 t80 -69.02 -21.76 64.11 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.281 -1.512 . . . . 0.0 109.882 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.65 ' O ' HG12 ' A' ' 11' ' ' VAL . 26.9 t80 -67.3 -68.32 0.39 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.379 -0.825 . . . . 0.0 109.781 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.01 -30.88 62.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.158 -0.964 . . . . 0.0 109.736 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -29.41 67.24 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.342 -0.848 . . . . 0.0 109.47 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.897 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -76.87 -37.39 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.336 -0.853 . . . . 0.0 109.812 179.83 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' LYS . . . -73.68 -23.29 59.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.426 -0.796 . . . . 0.0 109.587 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -44.9 48.37 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.513 -0.742 . . . . 0.0 109.535 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -72.2 -30.41 64.92 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.369 -0.832 . . . . 0.0 109.881 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.897 HD13 ' O ' ' A' ' 11' ' ' VAL . 6.5 mp -76.23 -26.2 55.83 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.309 -0.869 . . . . 0.0 109.271 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 1.3 mmtt -67.86 -48.14 66.97 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.26 -48.01 77.37 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.62 -77.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.729 -0.607 . . . . 0.0 110.166 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 12.9 p90 -99.02 169.93 9.08 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.003 -1.06 . . . . 0.0 110.436 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.737 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -70.43 -31.65 68.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.218 -0.926 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.121 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -58.02 -27.23 63.35 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 178.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.663 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.47 -48.79 30.74 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -177.734 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' LEU . 6.6 mttp -52.28 -27.22 14.25 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 175.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.121 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.68 -50.32 45.07 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.759 177.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.488 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 11.2 t80 -66.12 -19.5 65.86 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.363 -1.461 . . . . 0.0 109.049 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.54 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.63 -50.87 32.36 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.627 -0.67 . . . . 0.0 109.429 179.219 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -61.05 -40.29 93.07 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.276 -0.89 . . . . 0.0 109.363 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -67.85 -27.1 66.4 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.417 -0.802 . . . . 0.0 109.377 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -71.69 -42.25 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.879 . . . . 0.0 109.176 179.459 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -73.55 -20.74 60.56 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.566 -0.709 . . . . 0.0 110.014 179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.81 -43.68 58.07 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.519 -0.738 . . . . 0.0 109.85 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -71.45 -40.81 70.11 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.526 -0.734 . . . . 0.0 109.684 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.0 mm? -70.66 -25.31 62.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.297 -0.877 . . . . 0.0 109.016 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -68.58 -47.67 66.19 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -58.35 -51.17 70.94 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -41.19 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.027 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 20.1 p90 -102.76 -152.8 0.45 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.818 -1.176 . . . . 0.0 110.609 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.65 -1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.573 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -69.79 -23.94 63.42 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.076 -1.015 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.083 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -61.11 -29.54 69.83 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 177.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.648 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -70.86 -51.65 25.08 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 -178.198 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -52.01 -26.03 9.81 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 105.056 -2.202 . . . . 0.0 105.056 175.316 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.083 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.09 -44.96 62.44 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.438 178.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.46 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 27.4 t80 -66.44 -19.36 65.77 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.18 -1.575 . . . . 0.0 109.669 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -67.31 0.61 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.495 -0.753 . . . . 0.0 110.129 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.28 -41.79 65.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.292 -0.88 . . . . 0.0 110.165 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HE3' ' HB1' ' A' ' 6' ' ' ALA . 1.2 mtmt -62.58 -30.96 71.71 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.206 -0.934 . . . . 0.0 108.739 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.573 ' O ' HD13 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -70.79 -36.56 65.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.294 179.523 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -69.98 -27.29 64.59 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.424 -0.797 . . . . 0.0 109.547 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.44 -35.72 68.37 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.379 -0.826 . . . . 0.0 109.903 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 10.9 tttm -76.85 -37.75 55.03 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.498 -0.751 . . . . 0.0 110.947 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 11' ' ' VAL . 4.9 mp -75.77 -24.37 56.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.976 -1.078 . . . . 0.0 110.34 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -73.06 -54.92 7.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 119.454 -0.898 . . . . 0.0 108.648 179.46 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.75 -39.31 84.33 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 14' ' ' LYS . . . -51.04 -79.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.869 -0.519 . . . . 0.0 110.056 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 8.0 p90 -98.46 30.13 3.35 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.001 -1.062 . . . . 0.0 110.642 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.737 -1.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.706 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -25.16 64.38 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.055 -1.028 . . . . 0.0 109.69 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.144 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -59.54 -28.69 67.33 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 177.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.67 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.74 -47.18 32.61 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -177.864 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -51.73 -26.91 10.37 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 175.05 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.144 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.46 -47.31 49.91 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.642 178.193 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.6 OUTLIER -70.73 -30.36 66.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.525 -1.359 . . . . 0.0 110.287 -179.792 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.523 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -68.15 -52.18 37.5 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.088 -1.007 . . . . 0.0 110.168 179.826 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -34.79 79.27 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.252 -0.905 . . . . 0.0 110.728 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 2.3 tppm? -73.98 -26.09 60.27 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.177 -0.952 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -75.3 -43.38 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 109.443 179.798 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -67.11 -24.55 65.94 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.768 -0.773 . . . . 0.0 109.157 179.147 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -37.6 68.35 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.586 -0.696 . . . . 0.0 109.718 179.478 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -76.53 -33.69 58.57 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.36 -0.837 . . . . 0.0 110.692 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.524 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.9 mp -74.85 -28.09 60.53 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.129 -0.982 . . . . 0.0 109.339 179.385 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 15.4 ttpt -71.45 -46.51 59.79 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.23 -48.28 76.43 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.04 -71.18 0.08 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.76 -0.587 . . . . 0.0 110.879 179.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 20.2 p90 -108.02 29.88 6.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.741 -1.224 . . . . 0.0 110.665 -179.396 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.512 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.624 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.93 -25.2 61.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.169 -0.957 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.127 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -60.57 -27.98 68.12 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 177.83 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.84 -48.59 24.33 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -178.087 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -51.19 -27.07 7.91 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 104.719 -2.326 . . . . 0.0 104.719 174.934 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.127 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.06 -50.15 36.96 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 114.46 -1.245 . . . . 0.0 110.334 177.609 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 11' ' ' VAL . 79.9 t80 -66.19 -14.88 62.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.204 -1.56 . . . . 0.0 109.491 179.504 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 1.7 t80 -77.67 -65.3 0.98 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.53 -0.732 . . . . 0.0 109.826 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -52.48 -38.9 60.47 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 119.586 -0.846 . . . . 0.0 109.657 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -66.38 -31.04 71.56 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.674 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.6 t -72.96 -36.53 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.156 179.286 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.35 62.54 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.471 -0.768 . . . . 0.0 109.128 178.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -76.1 -30.5 58.3 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -80.17 -28.87 38.7 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.525 -0.734 . . . . 0.0 109.189 179.073 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.583 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 5.9 mp -78.87 -28.51 44.19 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.394 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 9.7 tptp -71.74 -47.19 55.48 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -59.97 -57.17 14.03 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.115 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.52 -64.43 0.43 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.83 -0.544 . . . . 0.0 110.71 178.702 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 -34.23 129.15 0.38 Allowed 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.336 -0.852 . . . . 0.0 110.826 -179.691 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.658 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 3' ' ' TRP . 9.5 p30 -73.55 -35.44 65.52 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.288 -0.883 . . . . 0.0 110.191 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.148 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -54.02 -26.9 28.7 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 177.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.654 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -74.6 -44.96 48.21 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -178.211 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -50.82 -28.64 9.83 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 104.49 -2.411 . . . . 0.0 104.49 174.775 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.148 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.6 -48.68 37.77 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.793 177.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 11' ' ' VAL . 6.2 t80 -70.84 -23.53 62.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.285 -1.509 . . . . 0.0 111.275 -179.505 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -49.52 18.17 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.94 -1.1 . . . . 0.0 109.788 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -37.0 86.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.404 -0.81 . . . . 0.0 109.942 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -66.05 -33.38 75.65 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.003 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.633 HG21 ' CE1' ' A' ' 7' ' ' PHE . 2.1 t -77.27 -30.36 17.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.338 179.3 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -74.04 -25.15 59.7 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.394 -0.816 . . . . 0.0 109.586 179.144 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.77 -44.28 56.52 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.577 -0.702 . . . . 0.0 109.175 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -69.82 -34.08 73.19 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.364 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 3.2 mm? -74.5 -28.38 60.98 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.547 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.618 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -70.28 -51.04 33.45 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.016 179.871 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ALA . 25.9 mm-40 -60.16 -53.05 62.31 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.091 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.06 -64.45 0.41 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.921 -0.487 . . . . 0.0 110.817 178.826 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 -31.59 -72.39 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.392 -0.818 . . . . 0.0 111.08 -179.597 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.915 -1.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.538 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -67.34 -25.36 65.96 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.07 -1.019 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.104 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -60.44 -27.58 67.62 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.026 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.639 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.67 -50.84 16.16 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -178.023 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.77 -26.79 10.35 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 175.341 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.104 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.48 -52.98 21.52 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.439 177.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 13.8 t80 -60.64 -29.41 69.24 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.053 -1.654 . . . . 0.0 109.066 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.703 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.3 t80 -68.67 -34.68 76.11 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 5.4 t70 -62.57 -59.99 4.15 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.481 -0.762 . . . . 0.0 109.883 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -30.33 62.05 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -61.76 -35.68 69.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.49 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 9' ' ' ASP . . . -68.11 -27.45 66.48 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.797 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -37.01 86.23 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.322 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -47.81 62.04 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.876 -0.73 . . . . 0.0 110.394 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.6 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 25.0 mt -68.15 -25.09 65.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.044 -1.035 . . . . 0.0 109.365 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' ' O ' ' A' ' 19' ' ' PHE . 6.3 tptp -69.11 -46.42 67.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-O 121.695 0.759 . . . . 0.0 109.051 179.347 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -50.51 71.07 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.446 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.3 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.207 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 3.9 p90 -103.53 -158.42 0.67 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.914 -1.116 . . . . 0.0 110.691 -179.732 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.743 -1.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.735 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -76.55 -36.07 57.85 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.089 -1.007 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.103 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -57.76 -27.97 63.53 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.09 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.667 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -75.28 -48.3 23.93 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -177.308 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -50.96 -28.54 10.05 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 104.065 -2.569 . . . . 0.0 104.065 175.042 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.103 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.03 -44.14 63.86 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.218 -1.355 . . . . 0.0 109.823 177.104 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.715 ' CD1' HG23 ' A' ' 11' ' ' VAL . 1.2 t80 -66.53 -28.71 68.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.557 -1.339 . . . . 0.0 109.87 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -68.6 -38.26 80.49 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.453 -0.779 . . . . 0.0 109.597 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.19 -56.27 15.9 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.472 -0.768 . . . . 0.0 110.485 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -66.12 -22.4 66.39 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.14 -0.975 . . . . 0.0 109.264 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.715 HG23 ' CD1' ' A' ' 7' ' ' PHE . 2.7 t -76.12 -38.53 34.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.381 179.504 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.53 -23.42 61.0 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.488 -0.758 . . . . 0.0 109.258 178.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.4 -43.83 59.69 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.522 -0.736 . . . . 0.0 109.563 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -68.86 -39.06 80.09 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.385 -0.822 . . . . 0.0 109.531 179.274 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.588 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 3.0 mp -66.19 -29.68 70.0 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 30.0 tttm -62.22 -43.65 98.35 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.814 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' ALA . 30.6 mt-10 -65.96 -56.84 9.62 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.557 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -37.35 -71.94 0.07 Allowed 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.131 0.491 . . . . 0.0 110.333 179.099 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 2.3 p90 -94.24 178.94 5.47 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.007 -1.058 . . . . 0.0 110.073 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.667 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 5.3 t0 -68.11 -26.81 65.99 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.086 -1.009 . . . . 0.0 109.694 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.122 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -59.89 -28.93 67.98 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.659 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.85 -50.07 26.25 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.513 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.04 -26.45 10.88 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 175.4 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.122 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.65 -50.62 28.91 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 114.702 -1.136 . . . . 0.0 111.165 178.377 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.54 -10.93 59.89 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.288 -1.508 . . . . 0.0 110.076 -179.481 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -74.6 -58.04 3.54 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.295 -0.878 . . . . 0.0 109.035 179.295 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.65 -35.49 76.34 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.366 -0.834 . . . . 0.0 109.18 178.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.47 -33.18 74.34 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.659 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -69.39 -37.17 74.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.38 -24.33 64.77 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.464 -0.772 . . . . 0.0 110.058 179.393 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' OE2' ' HE3' ' A' ' 16' ' ' LYS . 22.2 mm-40 -72.82 -43.08 63.14 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.333 -0.854 . . . . 0.0 109.55 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -38.9 81.58 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.258 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.53 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 9.2 mp -76.36 -21.8 55.65 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.226 -0.921 . . . . 0.0 109.295 179.334 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HE3' ' OE2' ' A' ' 13' ' ' GLU . 9.8 ttpp -65.45 -46.52 79.55 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.048 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 mt-10 -71.79 -53.68 12.58 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.309 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -33.7 -58.39 0.42 Allowed 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.179 179.111 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 9.4 m-30 -35.85 -68.1 0.14 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.365 -0.834 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.283 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.435 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.698 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -70.5 -31.96 69.26 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.197 -0.939 . . . . 0.0 109.799 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.085 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.7 p-90 -57.94 -26.69 62.58 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.63 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.49 -51.1 21.51 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -177.843 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.33 -27.89 10.83 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 104.594 -2.373 . . . . 0.0 104.594 175.284 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.085 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -72.16 -42.25 66.13 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.439 177.623 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 8.9 t80 -70.48 -26.38 63.59 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.321 -1.487 . . . . 0.0 110.102 179.737 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.636 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -67.17 -67.46 0.45 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.309 -0.869 . . . . 0.0 109.91 179.672 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -57.22 -30.84 64.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.18 -0.95 . . . . 0.0 109.883 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -69.33 -29.41 67.23 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.365 -0.834 . . . . 0.0 109.362 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.894 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -76.64 -38.34 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.398 -0.814 . . . . 0.0 109.653 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.402 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -72.02 -23.92 61.47 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.347 -0.845 . . . . 0.0 109.598 179.266 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -74.49 -43.55 55.5 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.428 -0.795 . . . . 0.0 109.481 179.695 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -44.34 81.48 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.396 -0.815 . . . . 0.0 109.846 179.681 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 ' O ' ' A' ' 11' ' ' VAL . 5.1 mt -70.01 -24.26 63.26 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.196 -0.94 . . . . 0.0 109.36 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 15.8 tttt -66.51 -47.39 73.1 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.284 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.2 mm-40 -66.31 -56.94 8.73 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.427 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.64 -60.84 0.42 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 122.057 -0.402 . . . . 0.0 111.188 179.094 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 11.2 m-30 -35.84 -61.7 0.46 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.249 -0.907 . . . . 0.0 110.871 -179.689 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.36 -30.05 68.91 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.292 -0.88 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.093 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.5 p-90 -58.4 -27.83 64.64 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.207 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.665 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -76.52 -48.74 18.43 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.883 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.38 -28.49 12.74 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 104.261 -2.496 . . . . 0.0 104.261 175.131 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.093 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.49 -46.5 63.6 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.982 -1.463 . . . . 0.0 110.008 177.092 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 7.4 t80 -73.41 -13.99 61.18 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 120.338 -1.476 . . . . 0.0 109.619 179.655 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.628 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.75 -61.23 1.86 Allowed 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.523 -0.735 . . . . 0.0 109.383 179.515 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.11 -30.55 70.43 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.129 -0.982 . . . . 0.0 109.907 179.609 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -31.37 69.63 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.252 -0.905 . . . . 0.0 109.268 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -72.74 -37.46 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.344 -0.847 . . . . 0.0 109.036 179.29 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -71.11 -21.22 62.24 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 121.685 0.755 . . . . 0.0 109.396 179.28 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.93 -49.28 30.4 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.442 -0.786 . . . . 0.0 109.499 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -65.67 -41.48 92.44 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.805 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.581 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -66.13 -28.15 68.58 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.195 -0.941 . . . . 0.0 109.0 178.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.613 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -66.45 -45.01 81.21 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.288 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' ALA . 71.2 mm-40 -63.31 -57.83 9.11 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.616 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.11 -60.04 0.58 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.08 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 5.3 m-30 -37.25 -70.07 0.1 Allowed 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.13 -0.981 . . . . 0.0 110.69 -179.52 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.268 0 O-C-N 119.753 -1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.437 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.625 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -70.22 -29.5 66.34 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.127 -0.983 . . . . 0.0 109.808 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.088 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -58.99 -27.0 64.99 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 177.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.625 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.32 -51.29 21.37 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -177.917 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -51.06 -27.98 9.31 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 175.475 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.088 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.21 -44.36 65.53 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.337 177.668 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.797 ' O ' HG13 ' A' ' 11' ' ' VAL . 71.1 t80 -70.56 -23.35 62.59 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.366 -1.459 . . . . 0.0 110.144 179.805 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.534 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.4 t80 -73.64 -36.02 65.36 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.286 -0.883 . . . . 0.0 110.192 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 28.0 t0 -77.79 -33.99 52.37 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.082 -1.011 . . . . 0.0 109.757 179.423 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -29.82 66.67 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.267 -0.896 . . . . 0.0 109.651 179.277 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 7' ' ' PHE . 34.6 m -79.71 -43.04 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.337 -0.852 . . . . 0.0 110.064 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -68.92 -23.35 64.16 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.172 -0.955 . . . . 0.0 109.921 179.585 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 6.5 mm-40 -76.35 -46.69 26.35 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.362 -0.836 . . . . 0.0 110.022 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -66.54 -38.77 87.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.832 . . . . 0.0 110.135 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 3.8 mm? -75.87 -23.4 55.64 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.213 -0.929 . . . . 0.0 109.331 179.25 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -67.65 -46.95 70.95 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.072 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -67.36 -49.51 63.66 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.421 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.67 -73.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.816 -0.553 . . . . 0.0 110.194 178.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 4.6 p90 -101.65 169.88 8.54 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.053 -1.03 . . . . 0.0 110.245 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.732 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 4.6 m-20 -71.48 -28.3 63.84 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.165 -0.96 . . . . 0.0 109.854 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.089 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -60.69 -26.55 67.21 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.89 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.663 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -76.45 -50.86 12.99 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.86 -0.525 . . . . 0.0 109.649 -176.806 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -50.36 -27.95 7.16 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 175.528 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.089 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.53 -45.62 65.16 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.101 176.662 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' LEU . 82.5 t80 -70.56 -20.78 62.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.413 -1.43 . . . . 0.0 110.492 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.653 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.8 t80 -67.9 -56.91 7.29 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.114 -0.991 . . . . 0.0 108.972 179.341 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 10.5 m-20 -66.14 -24.43 66.67 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.249 -0.907 . . . . 0.0 109.269 179.006 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -64.92 -38.08 89.79 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.653 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -71.38 -36.94 63.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.867 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.57 -21.51 65.43 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.544 0.688 . . . . 0.0 109.537 179.312 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -50.3 25.14 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.449 -0.782 . . . . 0.0 109.215 179.468 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -70.58 -23.08 62.53 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.727 -0.789 . . . . 0.0 109.737 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.572 ' HG ' ' CE1' ' A' ' 19' ' ' PHE . 10.5 tp -79.72 -26.97 40.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.346 -0.846 . . . . 0.0 108.76 178.722 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.579 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 3.2 ttpt -68.5 -50.98 48.16 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.662 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . 8.5 tp10 -52.25 -58.01 7.94 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.828 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.74 -62.73 0.46 Allowed 'General case' 0 N--CA 1.497 1.915 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.77 178.597 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 11.1 m-30 -34.19 -90.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.311 -0.868 . . . . 0.0 110.992 -179.757 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.277 0 O-C-N 119.558 -1.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.674 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.09 -34.82 49.96 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.183 -0.948 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.114 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -56.33 -26.69 53.26 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.237 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.647 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -75.82 -47.89 23.79 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -177.729 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -50.11 -28.71 7.68 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 174.755 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.114 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.17 -48.5 51.37 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.133 -1.394 . . . . 0.0 110.185 177.417 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -67.31 -19.02 65.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.331 -1.481 . . . . 0.0 110.276 179.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.512 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -72.34 -61.13 1.9 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.103 -0.998 . . . . 0.0 110.155 179.78 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 10' ' ' LYS . 2.7 p30 -62.53 -30.69 71.48 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.0 -1.063 . . . . 0.0 110.637 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 26.8 tttt -66.51 -33.37 75.53 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.115 -0.991 . . . . 0.0 109.027 179.414 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -74.04 -44.27 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.668 179.65 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.494 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -67.05 -23.09 65.85 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.6 -0.687 . . . . 0.0 109.901 179.666 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.546 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 13.4 tt0 -72.66 -44.84 61.32 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.386 -0.821 . . . . 0.0 110.077 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -72.23 -38.37 68.95 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.21 -0.931 . . . . 0.0 111.34 -179.181 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -27.91 62.72 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.874 -1.141 . . . . 0.0 109.963 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -72.5 -32.01 65.82 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.438 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -74.89 -47.72 28.58 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.57 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -42.08 -71.65 0.08 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.781 -0.574 . . . . 0.0 110.003 178.267 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -109.8 158.59 17.98 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.814 -1.179 . . . . 0.0 110.547 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.936 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.624 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -68.66 -24.72 64.56 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.026 -1.046 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.106 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -60.96 -29.46 69.66 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 178.018 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.652 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.59 -50.97 21.8 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -177.76 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' LEU . 16.5 tttt -51.77 -27.04 10.87 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 104.661 -2.348 . . . . 0.0 104.661 175.236 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.106 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -73.39 -42.12 62.52 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.45 177.883 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 26.1 t80 -71.06 -26.21 62.97 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.332 -1.48 . . . . 0.0 110.102 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.646 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -67.57 -52.41 38.94 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.278 -0.889 . . . . 0.0 109.989 179.853 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -66.03 -35.34 80.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.074 -1.016 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -68.37 -28.88 67.51 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.289 -0.882 . . . . 0.0 109.551 179.618 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -76.99 -37.29 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.704 179.776 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -73.07 -23.0 60.5 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.483 -0.761 . . . . 0.0 109.681 179.211 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -73.57 -46.76 45.42 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.39 -0.819 . . . . 0.0 109.133 179.424 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -30.65 68.5 Favored 'General case' 0 C--N 1.305 -1.352 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.647 179.34 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 4.4 mt -75.54 -26.0 57.66 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.354 -0.841 . . . . 0.0 109.247 179.127 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.02 -46.14 78.94 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.102 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' ALA . 68.7 mt-10 -66.52 -56.32 11.38 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.322 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -35.11 -60.04 0.48 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.993 -0.442 . . . . 0.0 111.075 179.099 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 10.3 m-30 -34.81 93.97 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.304 -0.872 . . . . 0.0 110.924 -179.701 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.932 -1.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.601 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.44 -21.77 60.37 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.193 -0.942 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.142 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -61.77 -29.98 70.49 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 178.027 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.692 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -76.12 -46.68 27.65 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -178.001 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -52.2 -24.57 7.37 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 105.028 -2.212 . . . . 0.0 105.028 175.045 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.142 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.61 -52.66 16.9 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.566 177.912 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.584 ' CD1' ' O ' ' A' ' 7' ' ' PHE . 1.8 t80 -70.28 -36.29 74.29 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.091 -1.631 . . . . 0.0 110.725 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.45 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -62.26 -57.07 12.75 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 109.746 179.833 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 5.7 t0 -54.88 -40.39 69.7 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.471 -0.768 . . . . 0.0 110.789 -179.369 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -69.84 -27.98 65.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.01 -1.056 . . . . 0.0 109.458 179.657 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -73.99 -44.23 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.366 -0.834 . . . . 0.0 109.267 179.74 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -71.72 -18.1 62.17 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.744 0.783 . . . . 0.0 109.615 179.347 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 19.2 tt0 -73.52 -46.5 47.39 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.665 -0.647 . . . . 0.0 109.674 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -36.77 68.24 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.24 -0.912 . . . . 0.0 110.333 179.838 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 24.7 mt -74.63 -22.92 58.67 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.027 -1.046 . . . . 0.0 109.54 179.533 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 1.6 tppp? -68.84 -45.22 71.68 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.047 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.48 -46.66 63.32 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 178.217 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.8 -73.85 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.633 -0.667 . . . . 0.0 110.426 178.846 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 2.3 p90 -102.83 -13.7 16.88 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.047 -1.033 . . . . 0.0 110.381 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.537 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.302 -1.493 0 O-C-N 120.015 -1.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.759 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 3.0 t70 -70.28 -28.53 65.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.22 -0.925 . . . . 0.0 109.5 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.096 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -60.24 -28.22 67.85 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.035 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.662 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.69 -50.77 19.25 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -177.376 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER -51.93 -27.06 11.8 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 175.043 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.096 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -74.05 -39.96 63.16 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.062 177.064 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.503 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 37.2 t80 -71.4 -26.64 62.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.38 -1.45 . . . . 0.0 110.416 179.755 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.503 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.58 -49.18 56.57 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.201 -0.937 . . . . 0.0 108.945 179.41 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -53.57 -49.79 66.96 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.321 178.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 mttp -68.04 -22.62 64.95 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.368 -0.832 . . . . 0.0 109.382 179.161 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.503 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -66.23 -44.26 91.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.236 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -69.23 -23.62 63.9 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.452 0.644 . . . . 0.0 109.353 179.051 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.58 -39.22 81.07 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.013 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -33.44 64.52 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.592 -0.692 . . . . 0.0 109.22 179.023 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.748 HD12 ' HE2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -71.85 -27.12 62.68 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.822 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 17.8 tptm -69.23 -52.54 26.75 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.885 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -56.48 -40.25 74.6 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.836 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -48.4 -78.59 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.81 178.573 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.748 ' HE2' HD12 ' A' ' 15' ' ' LEU . 33.0 p90 -99.93 -36.41 9.4 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.071 -1.018 . . . . 0.0 110.408 179.867 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.604 ' N ' ' CD1' ' A' ' 19' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.829 -1.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.406 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.642 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.34 -24.05 66.45 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.98 -1.075 . . . . 0.0 109.219 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.083 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -60.4 -29.31 68.88 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 177.753 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.53 -49.79 30.28 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -178.164 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' LEU . 3.7 mmtp -51.68 -27.15 10.73 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 175.193 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.083 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -73.74 -41.29 62.73 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.362 177.64 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.508 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 9.9 t80 -69.34 -26.94 64.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.417 -1.427 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.613 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -70.01 -49.59 49.97 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.106 -0.997 . . . . 0.0 109.855 179.525 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -64.58 -37.23 86.84 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.178 -0.952 . . . . 0.0 110.123 179.814 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -26.43 63.88 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.347 -0.846 . . . . 0.0 109.484 179.843 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -75.84 -40.32 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 121.272 -0.892 . . . . 0.0 109.79 179.677 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.403 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -76.13 -21.25 56.82 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.266 -0.896 . . . . 0.0 109.638 179.344 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.82 -38.02 62.17 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.548 -0.72 . . . . 0.0 109.861 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -74.06 -41.52 61.62 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.323 -0.861 . . . . 0.0 109.979 179.708 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.535 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 10.1 mp -72.37 -24.79 61.32 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.119 -0.988 . . . . 0.0 109.129 179.021 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.604 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 2.6 ttpt -69.98 -48.86 56.54 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.221 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -60.09 -53.78 53.69 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.363 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.42 -64.37 0.43 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.76 -0.587 . . . . 0.0 110.518 178.714 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.9 m-30 -34.73 107.9 0.06 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.358 -0.839 . . . . 0.0 110.664 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.727 -1.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.64 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -70.34 -28.21 64.96 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.18 -0.95 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.1 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -59.78 -27.63 66.72 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 177.887 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.634 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.09 -51.44 21.53 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -178.025 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' LEU . 21.9 tttt -51.11 -27.65 8.86 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 175.376 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.1 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.7 -46.1 63.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.419 177.846 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.835 ' O ' HG13 ' A' ' 11' ' ' VAL . 61.7 t80 -68.62 -27.82 66.37 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.25 -1.531 . . . . 0.0 109.874 179.738 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.499 ' C ' HG22 ' A' ' 11' ' ' VAL . 1.5 t80 -71.13 -30.74 66.87 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 179.803 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -80.13 -38.15 32.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.127 -0.983 . . . . 0.0 110.335 179.614 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -70.53 -28.14 64.7 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.183 -0.948 . . . . 0.0 109.468 179.618 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 7' ' ' PHE . 32.7 m -80.45 -46.12 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.347 -0.845 . . . . 0.0 109.835 179.759 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.56 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -66.94 -23.64 65.99 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.205 -0.935 . . . . 0.0 109.717 179.391 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -74.64 -46.11 40.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.41 -0.806 . . . . 0.0 109.598 179.736 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -45.85 88.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.363 -0.836 . . . . 0.0 109.998 179.83 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.577 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 4.6 mm? -69.88 -24.31 63.39 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.088 -1.008 . . . . 0.0 109.294 179.339 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -64.56 -45.31 87.62 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.213 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -70.7 -57.26 4.87 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.469 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -33.05 -58.26 0.37 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.417 179.283 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 9.9 m-30 -34.33 115.69 0.27 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.337 -0.852 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 O-C-N 119.837 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.659 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.7 -34.66 60.41 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.15 -0.969 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.131 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -57.38 -26.08 60.49 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.928 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.63 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.22 -50.41 27.65 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -178.002 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 4' ' ' LEU . 21.5 tttt -51.77 -27.17 11.34 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 175.586 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.131 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.58 -48.84 58.84 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.636 177.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.464 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 74.8 t80 -69.58 -29.07 66.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.222 -1.549 . . . . 0.0 110.69 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -39.76 76.62 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.329 -0.857 . . . . 0.0 110.138 179.944 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.67 -42.42 74.19 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.429 -0.795 . . . . 0.0 110.404 -179.866 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -68.03 -27.88 66.91 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.197 179.402 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -76.6 -46.9 30.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.31 -0.868 . . . . 0.0 109.725 179.888 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -66.57 -24.06 66.3 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 109.91 179.487 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.565 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.48 -33.94 60.84 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.268 -0.895 . . . . 0.0 109.64 179.963 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' N ' ' HG3' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -71.84 -45.53 61.11 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.054 -1.029 . . . . 0.0 110.223 179.393 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.8 mt -71.96 -23.42 61.44 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.142 -0.974 . . . . 0.0 109.5 179.391 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 10.0 tttp -64.14 -45.46 88.38 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.272 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.4 mm-40 -73.08 -53.99 9.67 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.582 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.99 -57.83 0.37 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 122.134 -0.354 . . . . 0.0 111.368 179.245 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.493 ' HE1' HD22 ' A' ' 15' ' ' LEU . 8.8 m-30 -36.61 -73.08 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.182 -0.949 . . . . 0.0 110.665 -179.767 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.883 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.735 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.47 -35.87 53.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.074 -1.016 . . . . 0.0 110.185 . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.129 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -58.16 -25.23 61.24 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 178.142 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -76.51 -47.98 20.97 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -177.665 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -49.35 -30.39 7.58 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 104.238 -2.505 . . . . 0.0 104.238 175.185 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.129 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -65.58 -53.68 38.43 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.966 -1.47 . . . . 0.0 108.865 176.435 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.429 ' O ' HG22 ' A' ' 11' ' ' VAL . 11.7 t80 -57.52 -20.7 33.23 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.485 -1.384 . . . . 0.0 109.817 178.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.555 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.92 -37.76 76.03 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.706 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 4.4 t0 -75.04 -27.56 60.09 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.324 -0.86 . . . . 0.0 109.408 178.869 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -30.65 63.36 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.518 -0.739 . . . . 0.0 109.383 179.135 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 8' ' ' TYR . 16.4 m -78.5 -42.04 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.459 179.515 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -69.83 -24.56 63.47 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.235 -0.916 . . . . 0.0 109.247 178.808 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 75.1 tt0 -74.72 -39.0 62.17 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.572 -0.705 . . . . 0.0 110.256 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' O ' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.37 -52.0 38.03 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.282 -0.886 . . . . 0.0 109.936 179.807 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -28.02 69.65 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.937 -1.102 . . . . 0.0 108.514 178.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -63.1 -42.42 99.58 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.567 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' ALA . 35.8 mt-10 -65.58 -57.45 8.15 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.204 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.17 -58.42 0.31 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.034 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.0 m-30 -38.59 150.9 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.101 -0.999 . . . . 0.0 110.545 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.847 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -23.77 64.83 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.122 -0.986 . . . . 0.0 109.674 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.154 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -60.01 -28.82 68.04 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.746 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.656 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -74.5 -46.38 39.79 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.063 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.6 -27.94 12.67 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 104.519 -2.401 . . . . 0.0 104.519 174.943 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.154 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.91 -45.81 59.87 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.862 177.402 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.477 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -59.63 -30.24 68.57 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.578 -1.326 . . . . 0.0 110.054 179.418 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.82 -43.38 72.14 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.341 -0.849 . . . . 0.0 109.878 179.764 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -60.28 -53.57 56.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.271 -0.893 . . . . 0.0 110.283 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -22.19 65.83 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.33 -0.856 . . . . 0.0 109.591 179.797 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -69.93 -50.76 46.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 119.512 -0.875 . . . . 0.0 108.736 179.296 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -67.33 -23.56 65.63 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.63 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -66.96 -34.4 77.67 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.105 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -69.35 -45.89 68.3 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.535 179.265 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 5.8 mt -69.13 -25.15 64.24 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.158 -0.964 . . . . 0.0 109.316 179.303 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 12.4 tptt -67.39 -47.93 68.88 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.562 -0.711 . . . . 0.0 109.121 179.448 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.4 tt0 -64.85 -51.33 62.62 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.568 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.71 -70.06 0.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.317 178.748 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 13.5 p90 -107.42 -160.17 0.72 Allowed 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.96 -1.087 . . . . 0.0 110.325 179.678 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.276 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.698 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -31.39 65.84 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.247 -0.908 . . . . 0.0 110.063 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.138 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -59.14 -25.67 64.08 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.842 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.634 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.89 -50.78 18.62 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -177.815 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.07 -27.4 13.73 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 175.835 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.138 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -64.68 -55.69 18.48 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.034 177.087 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.409 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 11.1 t80 -65.14 -11.99 46.12 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.335 -1.478 . . . . 0.0 108.865 178.461 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.622 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.83 -38.25 67.2 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 178.82 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -70.16 -37.03 75.11 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.857 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -68.99 -29.13 67.27 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.884 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -77.33 -38.21 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.371 -0.83 . . . . 0.0 109.837 179.732 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.29 -23.52 61.19 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.193 -0.942 . . . . 0.0 109.211 179.078 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -74.02 -44.04 55.85 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.547 -0.721 . . . . 0.0 109.406 179.548 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -73.62 -28.27 61.72 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.428 -0.795 . . . . 0.0 110.018 179.729 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -76.92 -27.93 55.09 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.4 179.295 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -48.04 69.39 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.183 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.5 mm-40 -62.26 -52.64 62.9 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -35.96 -63.14 0.39 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.974 -0.454 . . . . 0.0 111.075 179.156 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CE1' HD12 ' A' ' 15' ' ' LEU . 6.2 m-30 -36.88 135.52 0.44 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.318 -0.864 . . . . 0.0 110.527 -179.685 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.77 -1.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.664 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -74.69 -34.25 62.61 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.159 -0.963 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.102 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -57.53 -26.01 60.73 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 177.88 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.626 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.24 -49.77 26.0 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -177.736 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -51.5 -27.93 12.02 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 104.547 -2.39 . . . . 0.0 104.547 175.368 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.102 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.46 -46.63 63.42 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.439 177.665 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.502 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 37.8 t80 -69.15 -23.14 63.92 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.29 -1.506 . . . . 0.0 110.138 179.874 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.53 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -68.51 -47.63 66.48 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.273 -0.892 . . . . 0.0 110.197 179.805 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.77 -35.09 76.63 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.154 -0.966 . . . . 0.0 110.338 -179.894 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -26.27 62.13 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.145 -0.972 . . . . 0.0 109.859 179.753 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -77.75 -42.97 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.221 -0.924 . . . . 0.0 109.67 179.736 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -73.23 -21.84 60.56 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.299 -0.876 . . . . 0.0 109.239 178.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.71 -42.06 64.58 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.566 -0.709 . . . . 0.0 109.412 179.433 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -70.32 -39.74 74.59 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.485 -0.759 . . . . 0.0 109.973 179.716 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -70.32 -26.02 63.58 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.207 -0.933 . . . . 0.0 109.547 179.332 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -70.29 -51.51 29.86 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.697 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 28.1 mt-10 -58.24 -48.5 80.2 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.33 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.2 -77.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.796 -0.565 . . . . 0.0 110.21 178.882 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 41.6 p90 -108.04 163.22 13.33 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.095 -1.003 . . . . 0.0 110.356 -179.844 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.248 0 O-C-N 119.75 -1.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.403 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.218 -0.594 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -32.95 70.98 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.059 -1.026 . . . . 0.0 109.859 . . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.063 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -59.74 -26.05 65.34 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.276 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.618 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.96 -54.05 11.15 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -177.334 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -52.93 -26.5 15.23 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 175.659 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.063 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.05 -41.66 70.47 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.451 177.663 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.475 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 10.6 t80 -70.2 -26.61 63.96 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.215 -1.553 . . . . 0.0 109.758 179.715 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -37.78 74.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.333 -0.854 . . . . 0.0 109.494 179.385 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.98 -40.69 68.41 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.416 -0.802 . . . . 0.0 110.298 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -27.52 65.89 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.287 -0.883 . . . . 0.0 108.967 179.221 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -74.78 -49.24 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 O-C-N 121.364 -0.835 . . . . 0.0 108.901 179.382 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.515 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -63.22 -23.11 67.28 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.081 178.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -67.82 -46.61 71.37 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.796 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.13 -36.08 82.41 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.343 179.061 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.86 HD12 ' HE2' ' A' ' 19' ' ' PHE . 1.8 mm? -78.27 -21.22 50.14 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.523 -0.736 . . . . 0.0 109.406 179.317 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -68.75 -57.07 6.15 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.011 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.0 tt0 -60.96 -43.68 98.38 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.055 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -40.61 -73.33 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.102 178.75 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.86 ' HE2' HD12 ' A' ' 15' ' ' LEU . 1.1 p90 -98.19 33.77 2.11 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.903 -1.123 . . . . 0.0 110.275 179.824 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.75 -1.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.6 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.94 -26.0 65.74 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.176 -0.953 . . . . 0.0 109.687 . . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.107 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -60.2 -28.08 67.68 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.759 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.642 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -72.93 -50.23 24.77 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -177.957 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.34 -27.44 9.73 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 175.305 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.107 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.47 -47.26 61.46 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.271 177.805 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 11' ' ' VAL . 26.4 t80 -67.05 -24.56 65.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.309 -1.494 . . . . 0.0 109.917 179.737 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -62.57 1.46 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.318 -0.864 . . . . 0.0 110.554 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.81 -40.65 89.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 0.0 110.76 -179.496 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -68.05 -24.2 65.05 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.035 -1.041 . . . . 0.0 109.665 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.6 t -76.44 -41.06 35.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 O-C-N 121.405 -0.81 . . . . 0.0 109.715 179.695 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.34 -22.44 61.91 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.379 -0.825 . . . . 0.0 110.016 179.647 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -75.24 -48.98 20.8 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.342 -0.849 . . . . 0.0 109.444 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -31.58 71.78 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.494 -0.754 . . . . 0.0 109.627 179.521 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 4.9 mt -75.01 -27.36 60.09 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.377 -0.827 . . . . 0.0 108.994 179.033 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 50.5 tptt -64.7 -43.75 92.48 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.096 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.5 mt-10 -68.77 -57.18 5.99 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.412 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -34.8 -59.7 0.47 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.97 -0.456 . . . . 0.0 111.216 179.218 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 12.9 m-85 -36.01 -30.66 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.182 -0.949 . . . . 0.0 110.716 -179.848 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.508 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.654 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.84 -27.43 62.88 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.134 -0.979 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.096 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -60.42 -28.74 68.5 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 177.846 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.657 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.76 -50.14 32.71 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -178.216 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -51.98 -27.05 12.03 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 175.22 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.096 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.51 -47.23 61.48 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.595 177.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -68.42 -21.56 64.66 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.184 -1.572 . . . . 0.0 110.157 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.732 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -70.14 -71.22 0.25 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.21 -0.931 . . . . 0.0 109.289 179.042 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -49.79 -32.49 14.09 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.074 -1.016 . . . . 0.0 108.7 178.713 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 20.7 mttm -66.06 -32.26 73.62 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.687 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.847 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -69.92 -34.11 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.194 179.562 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.1 -24.68 60.67 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.986 179.448 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -45.03 46.81 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 121.265 -0.897 . . . . 0.0 109.646 179.723 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -70.59 -35.12 72.85 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.313 -0.867 . . . . 0.0 109.938 179.672 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.847 HD13 ' O ' ' A' ' 11' ' ' VAL . 4.8 mp -68.69 -31.02 69.82 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.464 -0.773 . . . . 0.0 109.065 179.243 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 4.3 tptp -68.32 -46.3 70.61 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.182 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.8 tt0 -57.66 -63.05 1.37 Allowed 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 178.338 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.17 -59.79 0.42 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 122.059 -0.401 . . . . 0.0 111.116 179.22 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.9 m-30 -37.5 -42.06 0.49 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.28 -0.887 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.965 -1.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.733 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -87.69 -49.29 7.24 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.114 -0.991 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.15 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.5 p-90 -54.43 -25.19 23.48 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 178.295 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.65 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.99 -47.97 26.52 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -177.885 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -50.75 -28.68 9.68 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 104.504 -2.406 . . . . 0.0 104.504 175.25 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.15 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -68.1 -53.06 28.17 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.275 -1.329 . . . . 0.0 109.343 176.909 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.494 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 51.8 t80 -57.88 -20.4 36.49 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.357 -1.464 . . . . 0.0 108.793 178.695 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.14 -51.44 53.9 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.548 0.69 . . . . 0.0 109.697 179.447 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -58.52 -52.16 66.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.869 . . . . 0.0 110.207 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 50.9 mttm -61.06 -26.41 67.62 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.214 -0.929 . . . . 0.0 108.676 179.395 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -66.6 -39.79 84.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.63 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.22 -23.79 64.85 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 120.075 -0.65 . . . . 0.0 109.667 179.204 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 1.8 mm-40 -68.02 -46.41 71.31 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.039 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 66.2 tttt -64.06 -38.26 90.41 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.001 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.568 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -76.9 -19.98 56.78 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.392 -0.818 . . . . 0.0 109.467 179.018 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -67.47 -48.9 65.81 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.501 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.551 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 13.7 pt-20 -72.33 -45.04 61.66 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.318 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 17' ' ' GLU . . . -40.34 -63.85 0.58 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.661 -0.649 . . . . 0.0 110.656 178.814 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 9.3 m-85 -29.71 -53.02 0.14 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.619 -0.676 . . . . 0.0 111.128 -179.799 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.005 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.587 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.75 -27.27 62.87 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.127 -0.983 . . . . 0.0 109.928 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.145 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -59.6 -27.91 66.71 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 177.866 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.642 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.01 -49.48 28.65 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -178.153 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 4' ' ' LEU . 34.8 tttp -51.03 -27.82 8.75 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 104.866 -2.272 . . . . 0.0 104.866 175.282 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.145 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.65 -50.54 35.71 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 114.381 -1.281 . . . . 0.0 110.74 177.965 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.578 ' CE2' ' CG2' ' A' ' 11' ' ' VAL . 61.1 t80 -70.85 -15.46 62.64 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.278 -1.514 . . . . 0.0 109.709 179.85 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.41 -59.53 2.93 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.545 -0.722 . . . . 0.0 109.857 179.829 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -57.69 -44.94 86.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.287 -0.883 . . . . 0.0 110.216 179.879 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -63.97 -26.79 68.74 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.202 -0.936 . . . . 0.0 109.142 179.582 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.578 ' CG2' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -70.89 -39.63 75.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.542 -0.724 . . . . 0.0 109.182 179.488 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -68.13 -24.35 65.0 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.528 -0.732 . . . . 0.0 110.215 179.951 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' OE1' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.2 -45.31 49.12 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.236 -0.915 . . . . 0.0 109.847 -179.984 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HA ' ' CE ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.43 -37.72 80.53 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.393 -0.817 . . . . 0.0 110.444 -179.778 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 15' ' ' LEU . 3.2 mm? -74.06 -25.59 59.92 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.127 -0.983 . . . . 0.0 109.17 179.129 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 2.2 ttmm -65.66 -44.19 87.08 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.272 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.1 tt0 -69.06 -53.29 21.18 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.358 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.89 -60.14 0.46 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 122.104 -0.372 . . . . 0.0 111.095 179.078 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.477 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.7 m-30 -34.76 118.72 0.43 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.252 -0.905 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.618 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.23 -30.97 63.86 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.113 -0.992 . . . . 0.0 109.77 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.114 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.4 p-90 -58.98 -26.88 64.87 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.689 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.97 -51.3 22.66 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -177.915 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' LEU . 8.4 mtpm? -51.82 -27.03 11.13 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 104.932 -2.247 . . . . 0.0 104.932 175.475 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.114 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.83 -47.21 63.61 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.539 177.986 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 53.6 t80 -68.75 -19.98 64.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.198 -1.564 . . . . 0.0 110.258 179.752 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.796 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -69.43 -58.88 3.43 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.127 -0.983 . . . . 0.0 109.355 179.496 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 1.4 m-20 -54.14 -40.38 67.35 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.181 -0.949 . . . . 0.0 109.264 179.196 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -30.63 71.65 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.887 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -67.67 -34.64 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.408 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.56 61.32 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.746 0.784 . . . . 0.0 109.22 178.954 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.77 -38.88 67.17 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.527 -0.733 . . . . 0.0 109.615 179.393 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -77.51 -36.48 52.52 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.738 -0.785 . . . . 0.0 111.04 -179.525 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -76.0 -25.51 55.84 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.914 -1.116 . . . . 0.0 109.493 179.491 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -49.15 57.25 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.736 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' O ' ' OE2' ' A' ' 17' ' ' GLU . 5.7 tp10 -64.77 -47.0 79.76 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.012 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -38.49 -63.77 0.48 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.93 -0.481 . . . . 0.0 110.958 179.091 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 18' ' ' ALA . 10.5 m-85 -34.86 -70.39 0.08 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.178 -0.951 . . . . 0.0 110.895 -179.618 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.753 -1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.418 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -71.72 -33.44 68.73 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.23 -0.919 . . . . 0.0 109.889 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.107 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.7 p-90 -57.27 -26.27 60.56 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 177.942 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.634 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.61 -51.04 21.31 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -177.802 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.6 tmtm? -51.4 -27.64 10.58 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 104.731 -2.322 . . . . 0.0 104.731 175.411 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.107 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.12 -45.42 63.66 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.376 177.662 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.508 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 35.4 t80 -70.73 -21.61 62.52 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.293 -1.505 . . . . 0.0 109.984 179.689 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.636 ' O ' HG12 ' A' ' 11' ' ' VAL . 12.0 t80 -67.54 -61.46 1.89 Allowed 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.295 -0.878 . . . . 0.0 109.933 179.727 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.37 -32.45 71.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.101 -1.0 . . . . 0.0 109.97 179.815 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -69.53 -28.68 66.23 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.325 -0.859 . . . . 0.0 109.582 179.545 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.705 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -77.46 -37.28 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.433 -0.792 . . . . 0.0 109.85 179.855 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -73.84 -23.01 59.57 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.372 -0.83 . . . . 0.0 109.787 179.584 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -75.81 -46.51 30.19 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.421 -0.799 . . . . 0.0 109.747 179.885 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -70.33 -34.67 72.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.371 -0.83 . . . . 0.0 109.885 179.731 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.705 HD13 ' O ' ' A' ' 11' ' ' VAL . 6.9 mp -76.21 -23.79 54.63 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.307 -0.87 . . . . 0.0 109.593 179.42 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 1.6 tttt -68.25 -49.19 62.31 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.552 -0.906 . . . . 0.0 108.552 179.265 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.9 tt0 -65.53 -50.72 64.16 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.404 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -40.99 -73.78 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.723 -0.61 . . . . 0.0 110.254 178.991 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 40.1 p90 -108.86 38.74 2.19 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 120.948 -1.095 . . . . 0.0 110.387 -179.917 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.477 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.685 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 4' ' ' LEU . 9.6 t70 -84.89 -45.7 12.0 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.268 -0.895 . . . . 0.0 110.398 . . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.162 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -56.4 -21.42 24.95 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 177.576 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.596 ' HG ' ' NE1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.34 -48.42 34.46 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 -178.585 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 4' ' ' LEU . 22.4 tttt -51.05 -27.97 9.21 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 175.247 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.162 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -67.23 -56.24 10.68 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.015 177.197 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' CE1' HG23 ' A' ' 11' ' ' VAL . 20.6 t80 -60.74 -18.68 56.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.25 -1.531 . . . . 0.0 109.568 179.327 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.421 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 4.6 t80 -71.04 -61.18 1.86 Allowed 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.502 -0.749 . . . . 0.0 109.677 179.252 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 6.0 m-20 -54.31 -42.53 70.22 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.288 -0.883 . . . . 0.0 109.404 179.345 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 13' ' ' GLU . 46.9 mtpt -69.04 -23.98 64.13 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.485 -0.759 . . . . 0.0 109.478 179.224 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.523 HG23 ' CE1' ' A' ' 7' ' ' PHE . 1.1 t -66.91 -48.03 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.501 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.474 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -68.23 -25.76 65.36 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.224 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -67.79 -26.57 66.15 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.277 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -78.01 -41.9 34.29 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.637 -0.664 . . . . 0.0 109.418 179.139 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.583 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -58.92 -36.12 74.21 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.765 -1.21 . . . . 0.0 107.751 178.417 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 1.8 tmtt? -60.73 -45.03 95.84 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.621 0.724 . . . . 0.0 109.291 179.301 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.4 tt0 -70.98 -67.67 0.49 Allowed 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.06 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -22.15 -59.67 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 120.869 0.366 . . . . 0.0 111.665 178.906 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' O ' ' A' ' 15' ' ' LEU . 8.9 p90 -117.29 -21.94 8.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.759 -1.213 . . . . 0.0 110.539 179.919 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.522 ' N ' ' CD1' ' A' ' 19' ' ' PHE . . . . . . . . 0 C--N 1.302 -1.488 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.59 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -71.64 -26.31 62.5 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.26 -0.9 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.114 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -61.64 -28.32 69.29 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 178.158 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.68 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -74.75 -51.36 14.39 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -177.076 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -50.31 -28.5 7.99 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 175.694 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.114 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -67.43 -50.16 60.54 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.317 -1.31 . . . . 0.0 110.204 177.263 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.502 ' CE1' ' CG2' ' A' ' 11' ' ' VAL . 12.1 t80 -66.57 -42.91 86.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.329 -1.482 . . . . 0.0 110.415 179.856 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -30.15 60.69 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.1 -1.0 . . . . 0.0 109.964 179.747 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -80.39 -42.9 21.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.28 -0.888 . . . . 0.0 111.682 -179.195 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -30.27 71.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.332 179.875 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.502 ' CG2' ' CE1' ' A' ' 7' ' ' PHE . 7.7 t -78.69 -46.85 24.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.505 -0.747 . . . . 0.0 109.797 179.79 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -62.48 -22.9 66.6 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.302 -0.874 . . . . 0.0 109.437 179.414 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -72.09 -46.87 55.1 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.543 -0.723 . . . . 0.0 109.085 179.301 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -45.95 91.47 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.265 179.619 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 4.4 mp -63.99 -29.44 70.6 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.006 -1.059 . . . . 0.0 108.917 179.219 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 2.3 tttp -63.12 -41.49 99.34 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.952 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -67.33 -57.84 5.89 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.62 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.92 -65.72 0.21 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.955 179.535 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 2.8 p90 -112.1 155.28 24.13 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.726 -1.234 . . . . 0.0 110.58 179.886 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.263 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.456 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.217 -0.646 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -75.28 -32.94 61.19 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.004 -1.06 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.161 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -57.81 -23.97 55.11 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 177.589 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.588 ' HG ' ' NE1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.52 -47.16 34.62 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -178.58 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.2 ttpp -50.88 -28.14 8.95 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 104.5 -2.407 . . . . 0.0 104.5 175.021 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.161 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.19 -53.0 22.26 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.304 177.732 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.78 ' O ' HG13 ' A' ' 11' ' ' VAL . 28.9 t80 -67.89 -18.42 64.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.407 -1.433 . . . . 0.0 110.42 179.932 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.468 ' HA ' ' CG2' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -78.54 -30.09 46.76 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.07 -1.019 . . . . 0.0 110.428 -179.861 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -81.41 -37.01 28.81 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.071 -1.018 . . . . 0.0 110.101 179.672 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.86 -29.04 65.05 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.291 -0.881 . . . . 0.0 109.589 179.423 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 7' ' ' PHE . 34.2 m -80.6 -47.33 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.362 -0.836 . . . . 0.0 110.004 179.667 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.575 ' N ' HG23 ' A' ' 11' ' ' VAL . . . -66.0 -23.39 66.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.0 109.769 179.304 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.01 -45.69 40.13 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.519 -0.738 . . . . 0.0 109.521 179.652 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -68.78 -28.81 67.12 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.336 -0.853 . . . . 0.0 110.127 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -80.01 -26.82 39.67 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.353 -0.842 . . . . 0.0 109.148 179.072 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 12.3 mttt -62.16 -46.13 90.36 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.205 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 18' ' ' ALA . 28.5 mm-40 -71.33 -52.12 20.51 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.342 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -32.81 -59.06 0.35 Allowed 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.307 179.383 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 16' ' ' LYS . 6.3 m-30 -35.87 126.18 0.71 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.303 -0.873 . . . . 0.0 110.561 -179.624 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.968 -1.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.487 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.706 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 3' ' ' TRP . 6.9 p30 -70.83 -32.27 69.27 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.163 -0.961 . . . . 0.0 109.893 . . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.105 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.9 p-90 -57.99 -26.25 62.12 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 177.808 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.625 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -71.52 -50.77 28.14 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -178.26 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -51.04 -28.32 9.96 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 175.345 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.105 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.53 -45.22 65.96 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.246 177.815 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.517 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 21.2 t80 -62.42 -24.14 67.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.055 -1.653 . . . . 0.0 109.363 179.178 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.601 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -72.51 -38.38 68.11 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.392 -0.818 . . . . 0.0 109.974 179.668 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 6.5 m-20 -72.77 -37.06 67.75 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.096 -1.002 . . . . 0.0 110.306 -179.927 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -25.09 58.03 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.139 -0.976 . . . . 0.0 109.568 179.405 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -77.76 -37.86 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.06 -1.025 . . . . 0.0 108.746 178.932 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.5 -25.21 61.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.286 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -33.65 66.54 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.336 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -70.04 -43.69 70.77 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.64 -0.663 . . . . 0.0 109.63 179.363 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' O ' ' CZ ' ' A' ' 19' ' ' PHE . 12.3 mt -69.26 -27.45 65.45 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.161 -0.962 . . . . 0.0 108.875 178.936 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.15 -44.84 82.98 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.403 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ALA . 18.0 tt0 -66.41 -50.9 61.87 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.313 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.15 -70.12 0.11 Allowed 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.554 178.993 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.451 ' O ' ' O ' ' A' ' 16' ' ' LYS . 4.0 p90 -108.14 172.01 7.08 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.101 -1.0 . . . . 0.0 110.551 -179.832 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 119.946 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.712 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -68.38 -23.7 64.69 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.263 -0.898 . . . . 0.0 109.809 . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.129 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -61.5 -28.14 69.1 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.027 -1.472 . . . . 0.0 107.027 177.914 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.671 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -76.61 -45.79 28.72 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 -178.169 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 4' ' ' LEU . 3.2 ttpt -50.14 -29.35 8.98 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 104.242 -2.503 . . . . 0.0 104.242 174.872 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.129 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.05 -50.98 43.65 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.173 176.59 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.648 ' CE1' HG21 ' A' ' 11' ' ' VAL . 32.4 t80 -59.39 -22.96 62.18 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.529 -1.357 . . . . 0.0 109.368 178.936 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -71.89 -36.64 70.11 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.54 -0.725 . . . . 0.0 109.928 179.724 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -51.16 22.58 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.358 -0.839 . . . . 0.0 110.024 179.732 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -30.74 66.15 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.965 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.648 HG21 ' CE1' ' A' ' 7' ' ' PHE . 2.1 t -71.49 -47.85 56.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 178.569 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' VAL . . . -43.18 -37.31 2.04 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.257 -0.902 . . . . 0.0 109.795 179.353 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 74.7 mt-10 -71.55 -41.91 68.52 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.288 -0.883 . . . . 0.0 109.424 179.119 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -66.79 -61.25 2.05 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.454 -0.779 . . . . 0.0 110.755 179.837 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.592 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 1.3 tp -56.92 -27.14 60.56 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.929 -1.107 . . . . 0.0 109.048 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 13.6 ttpt -62.61 -46.28 89.01 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.232 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -67.31 -62.28 1.5 Allowed 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 178.542 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -31.27 -58.27 0.24 Allowed 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.682 179.066 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 15.3 m-30 -35.96 -93.59 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.309 -0.87 . . . . 0.0 110.9 -179.406 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.673 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.693 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -67.24 -28.3 67.94 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.051 -1.031 . . . . 0.0 109.318 . . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.082 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.5 p-90 -60.41 -27.97 67.89 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 178.056 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.636 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -72.3 -53.22 13.07 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -177.366 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.7 mmpt? -52.55 -26.91 14.56 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 175.387 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.082 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.28 -42.37 68.81 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.191 177.496 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 1.8 t80 -68.89 -22.33 64.19 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.298 -1.501 . . . . 0.0 109.244 179.454 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -43.44 78.83 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.526 -0.734 . . . . 0.0 109.114 179.08 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -62.04 -52.84 62.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.541 -0.724 . . . . 0.0 110.308 179.816 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -59.4 -29.37 67.68 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.971 -1.081 . . . . 0.0 108.367 179.16 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 7' ' ' PHE . 1.2 t -64.92 -40.02 87.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.965 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.87 -20.47 61.1 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.698 0.761 . . . . 0.0 109.484 178.941 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -67.24 -42.58 83.76 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.37 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -72.5 -36.07 68.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.503 -0.748 . . . . 0.0 109.919 179.51 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD23 ' HE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -66.96 -30.15 70.2 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.169 -0.957 . . . . 0.0 108.861 178.823 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' PHE . 6.3 mttt -66.14 -42.18 89.42 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.446 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' ALA . 24.2 tp10 -65.48 -56.17 13.91 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.748 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -38.09 -69.79 0.11 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.937 -0.477 . . . . 0.0 110.522 179.166 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.472 ' O ' ' O ' ' A' ' 16' ' ' LYS . 2.9 p90 -106.54 -164.7 1.02 Allowed 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.803 -1.185 . . . . 0.0 110.465 -179.936 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 119.743 -1.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.683 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -67.05 -24.59 66.0 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.121 -0.987 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.11 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -61.48 -28.86 69.59 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 178.093 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.655 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.77 -50.99 15.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -177.539 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 4' ' ' LEU . 2.5 mttp -51.6 -25.41 6.89 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 175.235 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.11 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -73.55 -45.03 55.97 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.354 177.462 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 9.7 t80 -70.78 -28.58 64.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.487 -1.383 . . . . 0.0 110.647 -179.845 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.707 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -65.48 -66.17 0.58 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.305 -0.872 . . . . 0.0 110.208 179.821 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -52.58 -39.04 61.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 110.37 -179.736 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 3.1 mttp -66.37 -29.18 69.3 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.18 -0.95 . . . . 0.0 109.414 179.826 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -73.59 -34.58 42.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.799 179.745 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -72.67 -23.9 60.95 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 110.178 179.617 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -77.19 -47.94 18.95 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.232 -0.917 . . . . 0.0 110.212 -179.655 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -69.16 -37.81 78.42 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.36 -0.837 . . . . 0.0 110.289 -179.718 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.807 HD22 ' CE1' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -76.14 -24.72 54.89 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.236 -0.915 . . . . 0.0 109.383 179.224 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.9 tppp? -67.38 -45.69 75.5 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.115 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -65.84 -50.76 63.43 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.988 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -36.43 -60.63 0.57 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.783 178.77 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.807 ' CE1' HD22 ' A' ' 15' ' ' LEU . 14.9 m-85 -36.63 128.63 0.81 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.069 -1.02 . . . . 0.0 110.585 -179.922 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.423 0 O-C-N 119.948 -1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.428 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . . . . . . 0 C--O 1.216 -0.696 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.42 -38.21 42.0 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.156 -0.965 . . . . 0.0 110.218 . . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.142 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.6 p-90 -55.31 -23.15 21.98 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 177.674 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.582 ' HG ' ' CE2' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.74 -49.03 27.54 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -178.499 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.2 tppt? -50.71 -28.52 9.24 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 104.6 -2.371 . . . . 0.0 104.6 175.144 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.142 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -68.79 -50.75 47.71 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.768 177.396 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -63.13 -18.59 63.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.378 -1.451 . . . . 0.0 109.391 179.087 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.535 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.8 t80 -70.13 -48.28 58.18 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.137 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 18.3 t0 -70.42 -26.75 63.82 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.221 -0.924 . . . . 0.0 109.337 179.066 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -29.33 62.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.835 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -71.89 -44.29 67.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.617 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -68.26 -23.88 64.82 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.152 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -71.39 -31.06 66.86 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.948 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -49.78 47.08 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.79 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 3.6 mm? -65.84 -27.66 68.4 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.223 -0.923 . . . . 0.0 108.639 178.47 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 24.3 ttmt -65.06 -41.85 94.74 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.259 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' A' ' 18' ' ' ALA . 17.0 tp10 -69.07 -60.48 2.32 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 178.655 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -33.47 -58.03 0.41 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.956 -0.465 . . . . 0.0 111.131 179.154 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 12.1 m-30 -37.84 -54.09 1.27 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.015 -1.053 . . . . 0.0 110.64 -179.967 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.841 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.622 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 1.3 m-20 -70.29 -28.01 64.86 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.153 -0.967 . . . . 0.0 109.851 . . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.108 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -60.89 -27.14 67.94 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 107.516 -1.291 . . . . 0.0 107.516 178.053 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.649 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.54 -51.77 15.83 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -177.818 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 4' ' ' LEU . 8.9 mtmt -52.41 -26.5 12.77 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 175.478 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.108 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -68.7 -49.61 57.56 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.203 177.726 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -65.51 -20.8 66.49 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 120.231 -1.543 . . . . 0.0 109.532 179.348 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -37.84 70.58 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.45 -0.781 . . . . 0.0 109.873 179.433 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -69.66 -49.77 50.39 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.324 -0.86 . . . . 0.0 110.003 179.807 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -61.37 -28.14 69.02 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.28 -0.887 . . . . 0.0 108.663 179.354 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -76.07 -38.44 35.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.088 179.817 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.59 -25.51 64.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.274 -0.891 . . . . 0.0 109.904 179.29 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.52 -43.16 60.66 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.384 -0.822 . . . . 0.0 109.029 179.54 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -72.16 -27.27 62.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.46 -0.775 . . . . 0.0 110.211 179.723 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.611 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 23.7 tp -77.67 -28.92 51.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.265 -0.897 . . . . 0.0 108.966 179.238 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 17.6 tttt -70.76 -54.06 13.13 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.995 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' ALA . 21.2 tp10 -56.68 -44.68 81.68 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.59 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 15' ' ' LEU . . . -39.73 -65.66 0.37 Allowed 'General case' 0 N--CA 1.492 1.67 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.58 178.667 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CZ ' ' HG ' ' A' ' 15' ' ' LEU . 17.8 m-85 -31.21 -38.51 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.499 -0.751 . . . . 0.0 111.092 -179.671 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.683 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 6.4 m-20 -74.31 -31.37 62.45 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.261 -0.899 . . . . 0.0 110.104 . . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.102 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -57.49 -27.21 62.33 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.934 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.657 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -74.97 -49.11 21.06 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -177.482 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' LEU . 59.7 mttm -51.44 -27.11 9.34 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 104.726 -2.324 . . . . 0.0 104.726 175.335 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.102 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.41 -46.48 60.1 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.193 177.389 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 58.3 t80 -73.02 -19.04 61.27 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.577 -1.327 . . . . 0.0 110.057 179.859 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.516 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -75.62 -35.92 60.37 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.191 -0.943 . . . . 0.0 108.775 179.132 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 66.5 m-20 -71.46 -36.97 71.38 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.505 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -28.93 66.64 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.509 -0.744 . . . . 0.0 109.062 178.794 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -75.46 -42.69 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.367 179.625 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -68.18 -24.79 65.0 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.438 -0.789 . . . . 0.0 109.278 179.016 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 27.8 mm-40 -72.92 -39.83 65.96 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.594 -0.691 . . . . 0.0 109.415 179.401 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -68.84 -40.61 79.34 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.323 -0.861 . . . . 0.0 109.679 179.548 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.594 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 35.2 mt -71.35 -27.33 63.29 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.343 -0.848 . . . . 0.0 109.021 179.055 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 0.6 OUTLIER -67.44 -40.91 85.45 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.626 0.727 . . . . 0.0 109.068 179.622 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 18' ' ' ALA . 6.9 tt0 -71.65 -55.06 8.45 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.651 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -39.16 -70.64 0.1 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.768 -0.583 . . . . 0.0 110.811 179.273 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 15' ' ' LEU . 17.9 p90 -107.02 -11.31 15.69 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.799 -1.188 . . . . 0.0 110.491 -179.675 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.533 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.302 -1.498 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.599 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -68.31 -21.86 64.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.119 -0.988 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.103 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.1 p-90 -61.54 -30.04 70.4 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.777 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.659 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -73.74 -48.73 29.71 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -178.196 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -50.62 -28.28 8.5 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 104.527 -2.397 . . . . 0.0 104.527 174.961 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.103 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.6 -47.85 58.12 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.073 177.32 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 2.0 t80 -67.73 -19.06 65.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.355 -1.466 . . . . 0.0 109.702 179.369 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.557 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.2 t80 -71.16 -41.41 70.42 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.187 -0.945 . . . . 0.0 108.729 179.023 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.69 -37.46 82.33 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.292 -0.88 . . . . 0.0 109.361 179.177 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -71.77 -25.24 61.95 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.387 -0.821 . . . . 0.0 109.189 179.151 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -73.18 -42.92 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 121.393 -0.817 . . . . 0.0 108.925 179.349 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -70.6 -20.66 62.74 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 178.992 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 4.9 tp10 -71.76 -43.66 65.37 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.366 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -40.73 77.78 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.48 -0.763 . . . . 0.0 109.414 179.152 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 4.5 mp -68.46 -28.31 66.93 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.588 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 4.7 ttmt -67.59 -38.2 83.67 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.337 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' C ' ' OE1' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -70.61 -54.37 12.28 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.408 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -41.9 -73.77 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.865 -0.522 . . . . 0.0 110.201 178.894 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 17.4 p90 -108.87 -10.76 15.08 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.925 -1.109 . . . . 0.0 110.636 -179.611 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.532 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.303 -1.432 0 O-C-N 119.782 -1.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.709 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -72.55 -28.06 62.6 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.11 -0.994 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.117 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -60.3 -26.44 66.52 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.686 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -74.71 -46.97 34.11 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 -177.898 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 4' ' ' LEU . 3.6 mtmt -51.69 -26.81 9.97 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 175.351 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.117 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.32 -56.25 7.17 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.032 178.227 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 11' ' ' VAL . 27.4 t80 -71.44 -14.39 62.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.238 -1.539 . . . . 0.0 110.788 -179.53 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -75.54 -46.8 29.93 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.136 -0.978 . . . . 0.0 110.022 -179.905 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -65.47 -43.33 90.61 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.375 -0.828 . . . . 0.0 110.277 -179.894 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.44 ' HA ' ' CD ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -62.37 -31.84 72.55 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.034 -1.041 . . . . 0.0 108.634 179.161 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 7' ' ' PHE . 2.5 t -68.27 -39.5 81.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.01 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -65.31 -28.23 69.17 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.522 -0.736 . . . . 0.0 109.355 178.797 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.44 ' CD ' ' HA ' ' A' ' 10' ' ' LYS . 9.9 mt-10 -66.41 -38.0 86.49 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.109 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -45.82 74.41 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.514 -0.741 . . . . 0.0 109.614 179.056 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.529 ' O ' ' CE1' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -66.48 -26.2 67.07 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.218 -0.926 . . . . 0.0 109.1 179.144 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.62 ' HA ' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -66.58 -46.18 76.84 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.979 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.5 mm-40 -61.33 -60.04 4.35 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.168 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' PHE . . . -34.42 -58.58 0.48 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.052 178.972 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 8.2 m-30 -37.45 -32.88 0.06 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.189 -0.944 . . . . 0.0 110.673 -179.974 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.425 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.789 -1.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.673 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.82 -33.06 70.31 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.243 -0.911 . . . . 0.0 109.819 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.106 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.5 p-90 -57.81 -26.82 62.48 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 178.078 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.745 HD23 ' CD2' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -73.19 -50.32 23.18 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -178.074 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -51.73 -26.97 10.5 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 175.204 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.106 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -71.77 -46.8 57.18 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.76 178.128 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.745 ' CD2' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -73.14 -18.48 61.28 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 120.309 -1.495 . . . . 0.0 109.949 -179.917 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -76.15 -57.37 3.91 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.286 -0.884 . . . . 0.0 110.36 -179.953 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.82 -42.24 83.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.138 -0.976 . . . . 0.0 110.391 -179.721 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -67.82 -27.26 66.57 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.2 -0.937 . . . . 0.0 109.34 179.754 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.531 HG21 ' CE1' ' A' ' 7' ' ' PHE . 1.3 t -76.97 -50.62 20.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.441 -0.787 . . . . 0.0 109.603 179.771 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -61.17 -24.44 66.31 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.442 -0.786 . . . . 0.0 109.653 179.556 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.66 -45.81 60.83 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.478 -0.764 . . . . 0.0 109.463 179.696 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -45.53 80.52 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.704 179.847 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 51.7 mt -62.99 -29.56 70.92 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.91 -1.119 . . . . 0.0 108.694 179.126 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -62.66 -39.5 94.12 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.876 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.8 mt-10 -70.47 -60.08 2.47 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.532 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.39 -64.75 0.23 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.973 -0.454 . . . . 0.0 111.073 179.406 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.593 ' CZ ' ' HB3' ' A' ' 15' ' ' LEU . 3.1 p90 -112.59 32.41 5.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.671 -1.268 . . . . 0.0 110.498 179.78 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.021 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.63 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -33.41 65.22 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.228 -0.92 . . . . 0.0 110.299 . . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.143 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 p-90 -57.37 -25.82 60.06 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.103 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.63 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -72.94 -49.2 30.85 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -177.946 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 4' ' ' LEU . 1.4 tttt -51.41 -27.78 11.05 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 175.191 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.143 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -70.23 -48.89 54.99 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.216 177.487 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.451 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 6.2 t80 -69.1 -18.78 64.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.364 -1.46 . . . . 0.0 109.803 179.662 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.493 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -71.77 -64.3 0.96 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.342 -0.849 . . . . 0.0 109.383 179.6 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 13' ' ' GLU . 6.4 t0 -59.44 -29.4 67.75 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.614 179.337 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 7.0 mmtt -71.57 -28.54 63.91 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.294 -0.879 . . . . 0.0 109.237 179.119 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -69.99 -44.88 78.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.976 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -71.45 -21.7 61.92 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.289 178.78 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -73.13 -36.63 66.74 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.655 -0.653 . . . . 0.0 109.637 179.569 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -75.69 -37.9 59.13 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.475 -0.765 . . . . 0.0 110.359 -179.853 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.573 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 5.8 mt -73.65 -26.12 60.6 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.153 -0.967 . . . . 0.0 109.383 179.278 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 15.3 tttt -70.45 -50.39 38.8 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.233 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.3 -46.25 90.51 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.168 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.91 -73.19 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.757 -0.589 . . . . 0.0 110.14 179.047 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 18.5 p90 -105.48 134.55 48.41 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.899 -1.125 . . . . 0.0 110.17 179.784 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.772 -1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.632 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -71.64 -29.62 64.85 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.08 -1.013 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 1.115 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.2 p-90 -58.93 -27.25 65.11 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.922 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.645 ' N ' ' CD1' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -73.48 -49.55 26.15 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -177.687 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' LEU . 37.7 tttt -51.87 -27.62 13.33 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 175.43 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.115 ' HB3' ' O ' ' A' ' 3' ' ' TRP . . . -69.85 -47.77 61.43 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 114.406 -1.27 . . . . 0.0 110.037 177.623 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.489 ' O ' ' HB ' ' A' ' 11' ' ' VAL . 48.0 t80 -69.35 -20.26 63.85 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 120.337 -1.477 . . . . 0.0 109.785 179.552 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.7 t80 -68.07 -50.75 53.15 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.356 -0.84 . . . . 0.0 110.194 179.829 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -67.44 -35.27 78.89 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.192 -0.943 . . . . 0.0 110.458 -179.744 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -30.26 69.49 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.174 -0.954 . . . . 0.0 109.344 179.431 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -75.48 -41.22 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.467 -0.771 . . . . 0.0 109.769 179.81 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' LYS . . . -71.39 -22.25 61.9 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.35 -0.844 . . . . 0.0 109.654 179.409 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.81 -43.76 62.33 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.574 -0.703 . . . . 0.0 109.444 179.549 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -70.01 -35.19 74.17 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.931 179.61 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.569 ' O ' ' CE2' ' A' ' 19' ' ' PHE . 8.0 mp -74.88 -24.23 58.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.197 -0.939 . . . . 0.0 109.413 179.222 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -68.59 -50.21 53.39 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.04 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -62.66 -48.44 79.32 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.376 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.32 -76.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.884 -0.51 . . . . 0.0 110.286 178.904 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 15' ' ' LEU . 13.9 p90 -99.49 160.28 14.4 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.975 -1.078 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_