data_2dl3_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 2dl3 _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -106.38 143.71 27.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 127.97 15.31 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.53 143.83 28.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -109.8 135.61 50.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.55 108.74 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -69.23 -31.29 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -144.71 154.49 42.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.13 144.0 56.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -133.04 130.77 39.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -100.33 112.31 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.413 ' HB2' ' C ' ' A' ' 23' ' ' GLU . . . -81.55 110.5 16.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.29 -45.41 80.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.4 p -129.04 178.76 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.8 mt -56.93 -49.47 75.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' LEU . 6.7 ttpm? -37.54 -43.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 16.1 mt-10 -97.38 155.07 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.472 ' CD1' ' HD2' ' A' ' 25' ' ' PRO . 3.6 tp -122.99 138.54 29.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.73 157.89 58.9 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.317 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.9 mt -150.39 159.81 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -133.73 143.93 48.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.34 94.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.71 -25.65 5.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.1 138.64 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.783 0.325 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 mm -96.64 148.41 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.0 m -141.91 167.04 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -121.12 109.99 15.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -80.05 113.79 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.205 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -80.51 -41.54 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -146.58 171.5 14.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -110.38 119.76 40.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mm -67.2 -61.57 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -137.4 -175.54 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -66.78 -18.05 65.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -128.19 20.68 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -138.9 164.13 30.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 14.3 m-85 -145.84 174.36 11.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -143.8 129.75 19.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.34 -152.33 6.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -143.09 149.67 38.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -163.04 118.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 65.6 54.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.33 32.89 45.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 28.1 ttt85 -137.39 139.48 40.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 t -122.07 136.63 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.48 -153.89 8.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.7 pt -130.67 152.63 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 111.165 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -156.46 156.12 29.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.73 150.7 68.74 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 42.8 ptt85 -77.51 -18.95 56.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -5.76 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.436 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.3 m-85 -103.65 -27.64 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 59' ' ' ILE . 1.9 pp -109.65 171.98 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -139.39 109.74 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.4 mt -56.62 106.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -106.88 144.01 28.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.717 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 125.07 11.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.27 140.34 37.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -107.59 140.64 40.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.19 115.0 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -76.46 -37.38 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -133.06 163.67 28.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.19 130.16 39.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -121.44 120.07 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -96.95 116.78 29.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.03 110.92 17.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -62.07 -44.8 95.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 p -137.54 175.97 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.4 tp -50.11 -50.97 46.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 21' ' ' LEU . 26.7 tttt -34.24 -44.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -100.83 159.56 15.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 ' CD1' ' HD2' ' A' ' 25' ' ' PRO . 3.1 tp -125.07 138.38 31.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.711 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.77 154.25 67.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.462 HD11 ' CG ' ' A' ' 54' ' ' PHE . 54.1 mt -148.13 113.29 5.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -82.68 142.86 31.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -54.34 104.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.9 37.39 3.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.75 141.37 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.9 mm -94.81 118.08 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.2 m -122.37 156.03 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -113.67 115.6 28.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 mt -88.74 120.1 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -88.46 -41.97 12.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -136.54 169.34 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -115.15 103.39 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.3 mm -53.6 -67.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.23 -178.93 5.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -65.38 -16.69 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -127.72 21.09 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.49 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 83.2 m95 -142.36 161.57 37.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 17.8 m-85 -146.91 171.95 14.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.429 ' OE1' ' CG2' ' A' ' 53' ' ' ILE . 16.3 tp10 -140.77 126.91 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.9 -157.43 8.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -134.66 139.41 45.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -140.24 116.04 10.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 51.0 53.81 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.67 36.52 92.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -137.95 115.91 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.4 t -97.37 126.55 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.71 168.57 39.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.429 ' CG2' ' OE1' ' A' ' 44' ' ' GLU . 9.6 pt -98.49 151.18 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.462 ' CG ' HD11 ' A' ' 26' ' ' LEU . 12.5 p90 -154.74 154.86 29.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.69 148.3 65.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 46.9 ttp180 -76.0 -35.96 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.78 -11.21 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 14.5 m-85 -95.64 -29.97 14.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.2 pp -110.58 172.3 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -134.08 117.72 16.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.82 110.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.862 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.51 143.27 26.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.723 . . . . 0.0 110.85 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 150.97 68.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.293 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.6 141.34 10.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -108.52 133.04 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.13 116.3 18.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -73.2 -45.6 55.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -120.78 179.88 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -90.51 133.26 35.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -125.8 128.26 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.08 130.99 47.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB2' ' N ' ' A' ' 25' ' ' PRO . . . -97.57 111.61 23.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.24 -45.79 75.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.0 p -133.2 177.72 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 22' ' ' LYS . 36.2 mt -51.91 -48.93 63.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 21' ' ' LEU . 23.2 ttpt -36.8 -46.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -95.39 164.74 12.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.46 HD12 ' CG ' ' A' ' 50' ' ' ARG . 5.2 tp -134.25 136.17 25.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.434 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 54.1 Cg_endo -69.74 143.84 52.23 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.0 mt -143.8 105.03 4.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.59 144.33 35.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -48.38 104.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.02 39.53 3.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.442 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -110.24 133.5 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.5 mm -95.64 119.82 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.75 167.92 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -118.8 110.67 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.3 mt -76.52 111.57 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.186 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -83.34 -47.71 11.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.58 174.14 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -116.03 107.57 15.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.0 mm -61.53 -59.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -138.72 -177.09 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -69.43 -14.06 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -130.74 19.09 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 86.0 m95 -136.99 167.74 20.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 10.0 m-85 -151.49 168.93 23.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -139.0 124.51 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.59 -161.27 10.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' OE1' ' C ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -125.34 153.42 43.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.374 . . . . 0.0 110.842 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -164.66 130.55 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 45.91 48.85 12.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.37 30.07 73.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.46 ' CG ' HD12 ' A' ' 24' ' ' LEU . 7.3 tpp85 -131.1 141.82 50.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.2 t -122.76 137.71 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.22 -165.92 33.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.6 pt -113.49 158.56 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -162.89 148.93 10.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.8 Cg_endo -69.77 143.05 49.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.509 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 18.4 ttt180 -70.34 -43.0 71.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -49.34 -25.45 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.7 m-85 -80.02 -33.38 39.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.9 pp -107.2 174.72 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -141.31 115.11 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.4 138.68 56.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -115.44 143.56 30.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 123.8 10.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.1 139.09 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -111.84 132.8 54.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 119.11 14.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -79.43 -37.69 36.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -133.82 174.06 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -81.14 126.6 31.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -119.67 123.01 42.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -99.45 101.06 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB3' ' N ' ' A' ' 25' ' ' PRO . . . -54.45 109.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -55.21 -45.69 75.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.9 p -143.31 173.43 11.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.5 tp -45.78 -44.33 13.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -42.51 -45.63 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 9.4 mt-10 -95.87 161.47 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 50' ' ' ARG . 6.9 tp -121.52 135.9 25.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.644 0.735 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.454 ' N ' ' HB3' ' A' ' 18' ' ' ALA . 53.2 Cg_endo -69.82 148.6 65.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.69 2.26 . . . . 0.0 112.298 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' A' ' 54' ' ' PHE . 17.8 mt -140.38 139.03 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -108.74 142.37 39.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -49.38 107.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.6 39.17 4.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -110.79 137.52 48.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.7 mm -93.14 132.24 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.1 m -141.34 163.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -118.9 110.98 17.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -79.84 110.04 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.402 ' OH ' ' CB ' ' A' ' 46' ' ' GLU . 24.7 m-85 -77.6 -40.47 42.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -146.6 177.58 8.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -117.76 110.6 18.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 53' ' ' ILE . 10.2 mm -59.45 -60.07 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -136.25 -176.54 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -18.43 65.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -128.74 25.25 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.425 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 79.9 m95 -139.61 167.68 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.55 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 14.9 m-85 -153.92 161.11 42.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -131.62 126.16 34.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.57 -161.15 10.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' CB ' ' OH ' ' A' ' 35' ' ' TYR . 26.5 tt0 -125.49 152.1 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -158.68 127.33 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.0 t60 50.68 34.81 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.07 17.54 78.14 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 16.1 ttm180 -124.12 121.44 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.12 130.93 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.79 -166.5 21.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.444 HG22 ' CD1' ' A' ' 38' ' ' ILE . 6.0 pt -117.21 155.93 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.434 ' CG ' HD13 ' A' ' 26' ' ' LEU . 10.9 p90 -161.54 153.78 16.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.659 0.742 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.456 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.8 144.82 55.05 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.55 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 24.5 ttp85 -73.19 -30.14 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -63.37 -7.5 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.456 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 13.0 m-85 -103.14 -27.6 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 60' ' ' GLU . 1.8 pp -107.65 -178.45 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' N ' ' CD1' ' A' ' 59' ' ' ILE . 15.7 tt0 -151.47 113.04 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.5 mt -53.78 130.66 37.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.0 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.879 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -125.8 143.92 46.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.11 11.75 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.295 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.42 146.77 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -120.1 133.06 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.54 116.11 19.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 2.0 mmmm -73.39 -35.07 65.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 4.3 m-85 -134.0 171.93 13.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.2 135.01 35.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -129.23 133.41 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -105.12 119.53 39.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB1' ' N ' ' A' ' 25' ' ' PRO . . . -79.56 102.11 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.57 -42.79 64.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.2 p -145.66 175.33 10.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.22 -46.6 9.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -39.38 -49.08 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -94.75 163.93 13.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD22 ' CB ' ' A' ' 47' ' ' HIS . 5.7 tp -127.68 134.83 26.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.432 ' N ' ' HB1' ' A' ' 18' ' ' ALA . 54.1 Cg_endo -69.75 135.84 31.5 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.392 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.511 HD11 ' CG ' ' A' ' 54' ' ' PHE . 38.3 mt -132.05 133.49 44.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.4 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 6.7 tt0 -105.48 141.93 36.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -46.36 118.73 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.89 41.61 12.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.401 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -111.32 137.18 49.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.0 mm -93.53 122.03 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.2 m -126.14 161.37 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -117.01 109.32 16.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.3 mt -77.01 116.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -82.96 -42.82 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -141.68 179.08 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -119.75 105.24 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mm -60.41 -56.14 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -138.44 -179.0 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.61 -23.07 66.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -123.76 14.53 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 84.3 m95 -129.42 157.44 41.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -144.3 175.11 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -147.88 122.07 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.87 -150.98 5.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.498 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -132.02 148.8 52.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.462 ' CB ' HD22 ' A' ' 24' ' ' LEU . 16.4 t-80 -158.7 117.56 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 59.65 42.79 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.7 30.32 76.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -134.04 138.62 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.4 t -114.03 143.35 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.62 -161.66 25.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.1 pt -123.42 152.67 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CG ' HD11 ' A' ' 26' ' ' LEU . 12.1 p90 -153.42 148.55 19.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.748 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.3 Cg_endo -69.77 139.42 40.16 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -64.39 -42.25 96.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -18.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 8.9 m-85 -89.25 -32.64 17.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.439 HD11 ' N ' ' A' ' 60' ' ' GLU . 2.3 pp -109.95 -175.27 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' N ' HD11 ' A' ' 59' ' ' ILE . 19.6 pt-20 -145.55 133.24 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.0 mt -75.35 97.78 3.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -128.53 143.61 48.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 144.28 53.81 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.7 134.09 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.45 ' CZ ' ' HA2' ' A' ' 29' ' ' GLY . 12.4 ttt-85 -101.69 129.59 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.07 112.26 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -71.53 -35.06 70.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -129.44 173.11 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.63 109.11 20.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.654 ' CE2' ' CD ' ' A' ' 55' ' ' PRO . 43.5 t80 -90.45 142.19 27.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -116.26 117.73 30.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.53 109.1 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -66.69 -41.57 87.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.7 p -134.06 168.06 19.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.6 tt -47.44 -48.5 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -37.56 -40.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -101.58 157.83 16.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' CD1' ' HD2' ' A' ' 25' ' ' PRO . 8.8 tp -121.48 134.66 24.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.424 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.76 152.4 69.3 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.52 HD12 ' CG ' ' A' ' 54' ' ' PHE . 8.4 mt -145.02 128.82 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.4 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 9.4 tp60 -97.46 143.31 28.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -53.27 111.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' HA2' ' CZ ' ' A' ' 11' ' ' ARG . . . 92.92 37.33 5.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.412 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 1.7 m-20 -112.01 128.08 56.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.0 mm -87.88 111.93 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 m -114.07 166.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.183 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -119.47 110.48 16.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.5 mt -78.95 111.74 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -76.27 -47.36 24.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HD3' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -146.29 162.9 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.436 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 37.7 tt0 -97.38 125.54 42.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.8 mm -79.05 -61.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -134.25 -179.27 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -64.0 -18.68 64.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -130.65 22.47 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -138.04 161.68 36.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 12.7 m-85 -144.64 -179.93 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -146.42 125.02 12.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.72 -167.07 17.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 1.6 tm-20 -120.23 151.22 39.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.456 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 22.2 t-80 -161.98 128.28 3.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 24.8 t-80 50.32 53.78 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.51 34.25 59.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.473 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -136.61 158.78 43.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.69 144.84 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.57 -165.42 35.7 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.7 pt -116.01 155.95 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CG ' HD12 ' A' ' 26' ' ' LEU . 15.2 p90 -157.82 150.75 18.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.654 ' CD ' ' CE2' ' A' ' 16' ' ' PHE . 53.8 Cg_endo -69.76 133.56 25.88 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.513 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 5.3 ptm180 -61.69 -42.37 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.1 p -48.43 -23.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 8.6 m-85 -81.51 -30.96 33.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.41 HD13 ' N ' ' A' ' 60' ' ' GLU . 2.4 pp -109.99 -176.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' N ' HD13 ' A' ' 59' ' ' ILE . 5.4 tp10 -147.12 114.38 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.76 120.83 10.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.3 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.873 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -116.62 143.42 31.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 128.22 15.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.28 142.71 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -115.82 132.87 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.9 118.53 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -77.23 -33.6 56.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -127.74 175.73 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.66 99.66 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CE1' ' CD ' ' A' ' 55' ' ' PRO . 74.5 t80 -87.55 134.95 33.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.93 120.74 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' HB1' ' C ' ' A' ' 23' ' ' GLU . . . -84.88 105.44 15.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -63.41 -39.76 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.2 p -135.19 168.79 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' LYS . 34.8 tp -49.5 -49.15 46.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LEU . 14.5 mmmt -37.6 -41.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' C ' ' HB1' ' A' ' 18' ' ' ALA . 12.7 mt-10 -99.27 149.73 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.432 ' CD1' ' HD2' ' A' ' 25' ' ' PRO . 14.9 tp -112.45 133.92 21.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.432 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.79 144.81 55.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 54' ' ' PHE . 28.1 mt -140.29 128.3 22.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -98.24 144.77 27.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -50.08 107.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.43 34.04 6.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.466 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 5.6 m-20 -106.57 137.91 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mm -95.88 130.56 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.56 164.96 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -117.52 114.74 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.9 mt -84.1 108.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -78.65 -45.84 20.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -135.65 174.03 11.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -118.91 113.71 21.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.42 HG13 ' CG2' ' A' ' 53' ' ' ILE . 19.9 mm -67.32 -65.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -130.46 -179.52 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -65.42 -19.68 66.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -124.81 20.07 8.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.546 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 91.4 m95 -138.92 163.68 31.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 21.5 m-85 -147.46 -178.55 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -147.29 127.08 13.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.04 -156.55 8.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.447 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -126.08 153.05 45.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.466 ' CE1' ' OD2' ' A' ' 30' ' ' ASP . 12.0 t-80 -164.55 124.24 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 23.7 t-160 60.03 42.25 16.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.75 33.14 86.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -134.95 172.52 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.2 t -140.56 142.1 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.83 -171.51 44.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.42 ' CG2' HG13 ' A' ' 38' ' ' ILE . 19.9 pt -113.56 155.28 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CD2' HD11 ' A' ' 26' ' ' LEU . 2.6 p90 -154.07 155.2 30.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.546 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.4 Cg_endo -69.76 135.75 31.26 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.53 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 27.9 ttt85 -66.73 -41.86 87.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.94 -17.48 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.169 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.454 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 7.6 m-85 -88.26 -32.71 18.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.63 178.8 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -146.86 129.32 15.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.31 112.73 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 69.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -123.37 144.18 43.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 128.5 16.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.05 132.83 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -103.45 143.63 32.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.69 106.39 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -65.57 -35.14 79.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -133.3 172.41 12.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -83.99 130.6 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -116.61 142.55 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -116.01 119.76 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.461 ' HB2' ' N ' ' A' ' 25' ' ' PRO . . . -91.11 111.74 23.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.047 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -68.34 -39.58 81.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -141.12 175.27 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 22' ' ' LYS . 13.6 tp -48.23 -49.42 33.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 21' ' ' LEU . 5.6 tmtm? -35.0 -49.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.422 ' C ' ' HB1' ' A' ' 18' ' ' ALA . 10.1 mt-10 -98.03 155.91 16.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' CD1' ' HD2' ' A' ' 25' ' ' PRO . 10.6 tp -119.1 133.36 23.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 53.3 Cg_endo -69.79 135.7 31.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.641 2.227 . . . . 0.0 112.318 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 54' ' ' PHE . 35.5 mt -128.08 155.98 43.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' HB2' ' CG ' ' A' ' 30' ' ' ASP . 30.2 mt-30 -131.36 144.79 51.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -52.88 114.08 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.84 28.89 17.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.422 ' CG ' ' HB2' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -103.89 124.0 48.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.4 mm -84.25 122.33 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.4 m -125.49 161.59 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -115.5 112.64 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.5 mt -86.79 121.14 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -87.72 -43.85 11.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HE3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -145.97 162.53 37.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -98.41 115.74 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.425 ' CD1' ' HE3' ' A' ' 36' ' ' LYS . 5.1 mm -65.18 -64.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -128.97 -178.09 4.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -67.16 -15.54 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -132.89 23.65 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CE3' HD11 ' A' ' 53' ' ' ILE . 65.7 m95 -140.51 168.73 19.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -148.38 175.39 11.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -143.63 122.42 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.33 -162.21 11.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 40.1 tt0 -123.2 158.74 30.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.419 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 55.0 t-80 -163.01 110.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.402 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 12.1 t-80 58.06 44.69 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.86 28.58 70.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -133.83 124.53 26.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.7 t -108.74 134.0 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.22 -154.43 8.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD11 ' CE3' ' A' ' 42' ' ' TRP . 10.9 pt -128.27 161.09 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CB ' HD13 ' A' ' 26' ' ' LEU . 9.6 p90 -164.88 149.77 8.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.77 137.12 34.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 6.4 tmm_? -59.36 -48.29 82.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.5 p -44.92 -30.79 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.2 m-85 -74.74 -36.8 62.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -108.2 -175.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -150.16 127.27 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.29 117.33 9.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -108.94 144.16 29.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.58 17.84 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.25 148.95 33.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.412 ' NH2' ' OE2' ' A' ' 60' ' ' GLU . 54.2 ttp180 -117.79 130.17 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.31 110.5 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.47 -38.81 92.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.439 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -131.11 163.64 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.45 105.8 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -90.84 139.55 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -107.9 128.11 54.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.34 128.24 42.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -85.7 -33.64 21.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -140.81 174.8 10.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 mp -51.64 -46.95 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ILE . 11.7 tppt? -41.13 -43.27 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -96.89 157.88 15.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 50' ' ' ARG . 13.5 tp -126.28 132.91 24.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.453 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.78 133.18 24.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.519 HD12 ' CG ' ' A' ' 54' ' ' PHE . 40.0 mt -125.99 152.96 45.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -123.94 158.99 30.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -62.54 109.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.1 43.97 5.19 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.35 133.45 54.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.6 mm -94.98 114.46 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.93 165.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -118.7 110.47 17.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.7 mt -78.79 112.34 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -78.21 -42.13 32.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -145.83 175.64 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -117.9 118.33 31.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.9 mm -71.9 -60.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -131.08 177.3 7.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -66.23 -13.68 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -129.03 12.31 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 78.7 m95 -130.07 162.23 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 19.3 m-85 -147.08 175.96 10.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -149.38 129.15 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.8 -145.61 4.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -140.34 148.42 41.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -161.9 126.6 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.7 m170 54.35 42.85 31.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.28 32.07 82.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.462 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 22.2 ttm-85 -134.6 134.86 41.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.0 t -114.7 133.43 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.68 -155.95 9.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' LYS . 11.0 pt -128.18 156.7 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 111.148 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.519 ' CG ' HD12 ' A' ' 26' ' ' LEU . 7.2 p90 -157.87 153.84 23.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.518 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.78 144.65 54.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 2.8 tpt180 -69.61 -44.99 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -19.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.518 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.8 m-85 -86.63 -30.64 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.3 pp -112.05 171.63 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' OE2' ' NH2' ' A' ' 11' ' ' ARG . 8.0 pt-20 -135.23 118.31 16.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.57 108.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -121.6 143.21 37.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.4 19.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.634 2.223 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.9 131.74 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -101.4 130.86 47.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.83 112.55 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -72.98 -37.87 66.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -132.01 165.13 24.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.93 105.38 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -89.95 146.11 24.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -119.19 124.7 47.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.17 114.36 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.23 -43.98 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.7 p -127.1 179.11 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 mp -58.04 -47.7 82.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -38.96 -42.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -97.05 153.34 17.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 47' ' ' HIS . 5.5 tp -121.36 133.27 24.16 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 142.94 49.21 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.8 mt -134.2 124.17 25.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -91.11 144.22 25.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -50.42 104.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.08 44.84 3.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.499 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -111.09 134.92 52.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.1 mm -93.39 114.86 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.1 m -123.57 162.58 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -116.49 110.7 18.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.546 HG21 ' CD1' ' A' ' 43' ' ' TYR . 24.6 mt -81.69 113.26 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -80.15 -45.3 18.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -141.72 170.31 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -112.46 114.66 27.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.444 HG13 ' CG2' ' A' ' 53' ' ' ILE . 30.4 mm -62.8 -65.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -130.18 174.88 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 29.7 tp60 -61.61 -13.26 20.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -129.34 13.21 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -134.7 164.23 27.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.546 ' CD1' HG21 ' A' ' 34' ' ' ILE . 12.4 m-85 -143.65 -178.79 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -150.92 123.58 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.97 -157.21 7.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 20.5 tt0 -128.12 156.53 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.468 ' CB ' HD22 ' A' ' 24' ' ' LEU . 23.4 t-80 -163.55 122.16 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t60 51.09 42.82 29.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.85 22.5 78.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.405 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 19.5 ttm180 -128.93 120.04 25.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.2 t -101.5 126.96 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.9 179.93 35.12 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.444 ' CG2' HG13 ' A' ' 38' ' ' ILE . 22.7 pt -101.8 159.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.165 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -165.18 155.16 11.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.58 42.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.503 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 31.1 ptt180 -70.34 -40.58 74.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 14.9 t -51.19 -24.85 4.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -79.99 -31.03 39.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.439 HD11 ' N ' ' A' ' 60' ' ' GLU . 2.3 pp -109.64 176.82 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' N ' HD11 ' A' ' 59' ' ' ILE . 11.7 tt0 -146.04 110.8 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.1 mt -54.4 118.55 4.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.8 mtm-85 -111.99 143.05 27.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 122.66 9.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.288 . . . . 0.0 112.311 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.42 147.11 34.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -115.29 137.06 52.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.33 111.33 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 58' ' ' TYR . 14.8 mmmt -68.95 -31.77 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -136.46 166.57 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -81.73 113.12 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 17' ' ' LYS . 26.7 t80 -102.04 150.32 23.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 21.9 pttp -124.65 122.53 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' HB1' ' C ' ' A' ' 24' ' ' LEU . . . -91.25 114.9 27.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.78 -34.3 66.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 p -140.05 174.49 10.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 mp -50.86 -47.08 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -39.14 -42.84 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' C ' ' HB3' ' A' ' 18' ' ' ALA . 13.8 mt-10 -100.26 159.46 15.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 50' ' ' ARG . 4.9 tp -124.71 133.01 24.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.609 0.718 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.74 26.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.342 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.9 mt -133.18 143.42 49.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -114.41 143.13 45.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -55.12 119.38 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.66 -26.91 22.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.77 151.92 37.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -112.8 138.0 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.9 m -132.7 172.0 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -121.45 114.71 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.437 HG21 ' CD1' ' A' ' 43' ' ' TYR . 24.1 mt -84.2 115.17 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -82.92 -46.05 13.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -137.53 177.69 7.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -119.18 103.62 9.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.66 -67.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -128.99 -179.02 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.438 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 58.7 mt-30 -65.0 -13.66 58.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -131.64 15.21 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.424 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 78.1 m95 -132.18 158.08 42.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CD2' ' HB3' ' A' ' 56' ' ' ARG . 12.7 m-85 -140.13 178.79 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -146.46 124.19 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.71 -172.88 20.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -124.54 145.92 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -161.0 125.53 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 59.77 44.05 14.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.5 21.35 64.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' CG ' HD11 ' A' ' 24' ' ' LEU . 9.6 tpt180 -123.35 143.09 50.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.3 t -127.11 142.75 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.92 -155.95 14.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.5 pt -128.19 150.39 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -152.97 152.82 28.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.746 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.76 128.51 16.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.545 ' HB3' ' CD2' ' A' ' 43' ' ' TYR . 26.7 ptt180 -57.4 -19.04 20.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 p -71.03 -22.54 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.487 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.4 m-85 -88.25 -22.71 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.404 HD13 ' C ' ' A' ' 59' ' ' ILE . 2.2 pp -117.56 175.68 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.97 137.9 28.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.7 mt -79.25 104.08 9.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.894 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -108.53 143.88 28.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 141.53 45.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.84 129.67 13.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -98.37 124.73 43.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.82 113.82 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -69.92 -33.41 72.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -140.1 155.63 46.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -67.14 128.32 35.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -110.91 140.87 45.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -115.33 115.17 26.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.461 ' HB1' ' N ' ' A' ' 25' ' ' PRO . . . -84.37 113.14 20.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -69.13 -37.48 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -137.56 177.58 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 tp -55.43 -44.58 76.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.04 -44.55 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' C ' ' HB3' ' A' ' 18' ' ' ALA . 10.1 mt-10 -95.54 163.2 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 50' ' ' ARG . 5.6 tp -125.87 132.43 24.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.672 0.749 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.461 ' N ' ' HB1' ' A' ' 18' ' ' ALA . 54.0 Cg_endo -69.7 147.63 63.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.362 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mt -147.06 165.58 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -134.33 155.56 50.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -57.03 101.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.88 44.23 2.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.11 137.0 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 mm -94.01 118.29 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 m -125.6 158.08 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -113.73 112.3 23.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.8 mt -84.64 117.07 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -85.32 -41.07 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -140.97 174.24 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -115.88 107.9 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.409 HG13 ' CG2' ' A' ' 53' ' ' ILE . 25.7 mm -58.09 -60.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -139.65 176.08 9.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -63.58 -11.66 26.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -131.47 19.94 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.48 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 88.3 m95 -142.54 170.18 16.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 22.4 m-85 -152.14 176.78 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -144.54 124.06 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.18 -162.49 11.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -124.31 151.33 44.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -157.08 108.3 2.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 61.39 54.02 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.03 26.18 65.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 19.2 ttm-85 -130.83 123.81 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.843 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.0 t -106.86 134.34 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.87 -169.78 34.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.409 ' CG2' HG13 ' A' ' 38' ' ' ILE . 8.4 pt -109.19 162.66 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -165.49 151.93 8.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.7 Cg_endo -69.77 140.44 42.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -69.71 -42.13 74.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -51.36 -20.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.465 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.9 m-85 -85.52 -32.39 22.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.463 HD11 ' N ' ' A' ' 60' ' ' GLU . 1.9 pp -110.58 175.01 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.463 ' N ' HD11 ' A' ' 59' ' ' ILE . 6.3 tp10 -138.08 119.79 15.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mt -67.9 130.86 44.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 34' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -117.11 143.65 32.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 123.17 9.85 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.691 2.26 . . . . 0.0 112.363 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.51 146.51 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.046 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -113.74 132.71 55.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.61 112.2 16.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -69.27 -35.63 76.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -133.59 170.69 15.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.75 115.46 23.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -92.56 155.66 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -124.38 107.51 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HB3' ' C ' ' A' ' 23' ' ' GLU . . . -78.66 117.86 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -69.22 -42.0 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.2 p -142.69 171.72 13.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' LYS . 14.0 mt -42.59 -47.41 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LEU . 7.0 tmtm? -37.93 -48.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' C ' ' HB3' ' A' ' 18' ' ' ALA . 74.0 mt-10 -96.21 158.15 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' CD1' ' HD2' ' A' ' 25' ' ' PRO . 8.5 tp -121.52 131.82 24.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.596 0.713 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.84 140.41 42.33 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.1 mt -125.43 163.98 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -140.28 142.18 35.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -47.73 117.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.89 36.0 17.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 2.8 m-20 -106.67 128.17 53.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.836 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 mm -95.14 114.71 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.74 163.93 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -115.15 108.29 16.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.491 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 54.4 mt -78.6 117.14 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -83.02 -44.3 15.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -144.57 145.67 31.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -89.79 113.82 25.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mm -62.78 -60.31 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -138.39 173.73 11.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -56.86 -18.06 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -129.72 24.33 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 86.2 m95 -143.46 155.16 44.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.416 ' CD1' HG22 ' A' ' 34' ' ' ILE . 33.3 m-85 -140.7 -179.91 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -153.9 119.2 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.28 -146.9 4.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -139.52 141.39 37.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.44 ' CE1' ' OD2' ' A' ' 30' ' ' ASP . 27.6 t-80 -148.83 132.64 16.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 42.82 48.42 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.85 34.56 90.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -137.32 118.97 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.44 132.06 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.58 -172.0 37.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 pt -109.77 161.83 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -162.92 152.44 12.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.76 143.03 49.55 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.659 2.24 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -69.67 -43.79 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -47.32 -24.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 12.0 m-85 -82.56 -34.81 27.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.436 ' CD1' ' N ' ' A' ' 60' ' ' GLU . 2.0 pp -110.24 -175.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' N ' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -149.33 145.21 26.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.423 ' C ' ' OE1' ' A' ' 60' ' ' GLU . 19.5 mt -86.22 115.98 24.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.855 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -128.13 144.37 51.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 132.34 23.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.32 154.71 44.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -126.06 133.17 51.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.6 105.2 7.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' TYR . 54.5 mtpt -59.36 -33.89 71.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -136.06 174.06 11.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.71 127.06 33.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -116.14 136.42 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -117.5 106.22 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.82 118.68 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -74.76 -36.91 62.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.1 p -131.63 162.13 31.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 tp -47.61 -48.33 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -38.35 -41.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -97.36 148.51 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 50' ' ' ARG . 5.1 tp -108.53 131.95 21.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 147.76 63.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.381 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 mt -145.21 159.49 42.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -132.16 150.4 52.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -48.23 108.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.4 41.15 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -107.24 123.04 47.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 mm -85.14 114.74 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.1 m -123.71 160.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -113.39 112.85 24.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.5 mt -84.85 110.43 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CD2' ' HA2' ' A' ' 45' ' ' GLY . 45.5 m-85 -77.94 -48.53 16.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HE2' ' CD ' ' A' ' 44' ' ' GLU . 34.7 pttt -134.11 179.49 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -119.72 113.38 20.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.9 mm -67.62 -55.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -143.64 -179.88 6.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -60.36 -32.64 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -117.63 23.9 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.433 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 90.1 m95 -139.45 157.05 46.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -146.24 173.98 11.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' CD ' ' HE2' ' A' ' 36' ' ' LYS . 8.6 tt0 -141.18 124.36 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.476 ' HA2' ' CD2' ' A' ' 35' ' ' TYR . . . -149.93 -154.26 6.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -137.81 142.96 40.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -153.03 127.84 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 57.13 33.2 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.55 30.9 59.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.434 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 16.3 ttt85 -133.73 124.32 26.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.812 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -100.97 125.32 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.99 -158.62 9.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 pt -125.24 159.43 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -160.17 152.63 17.45 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.433 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.79 142.08 46.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -71.1 -29.1 64.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -63.12 -14.35 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 13' ' ' LYS . 9.1 m-85 -95.96 -19.83 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.466 HD13 ' N ' ' A' ' 60' ' ' GLU . 2.0 pp -121.25 174.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' N ' HD13 ' A' ' 59' ' ' ILE . 14.1 pt-20 -144.23 113.68 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.78 123.87 12.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.861 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -99.88 143.9 27.35 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.619 0.723 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.1 15.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.43 145.74 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -116.85 138.83 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.32 110.77 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -69.73 -33.85 73.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -130.38 162.0 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.98 96.6 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -85.58 139.87 31.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.8 120.38 38.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.53 112.03 17.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.45 -37.98 89.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.7 p -147.23 -176.99 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -56.27 -39.87 73.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -47.22 -40.48 16.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -98.1 168.62 10.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 50' ' ' ARG . 11.7 tp -131.95 132.2 23.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.569 0.7 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 144.98 55.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.655 2.236 . . . . 0.0 112.386 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 54' ' ' PHE . 35.6 mt -143.51 104.97 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -74.68 141.65 44.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -47.84 111.31 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.39 38.24 6.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -111.21 125.55 53.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mm -83.29 119.47 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.22 163.78 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -117.0 114.55 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.508 HD11 ' CG ' ' A' ' 43' ' ' TYR . 67.5 mt -81.65 116.96 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -81.68 -38.02 26.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -152.07 163.04 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -102.74 113.72 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.0 mm -65.4 -61.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -134.86 175.85 9.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -60.81 -17.54 50.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -129.71 19.67 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -134.83 160.39 38.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 8.7 m-85 -143.04 179.46 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -155.93 119.48 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.27 -152.25 5.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -130.01 152.9 48.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 50' ' ' ARG . 38.4 t-80 -164.48 133.69 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 41.28 47.55 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.37 31.88 80.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.468 ' CG ' HD12 ' A' ' 24' ' ' LEU . 12.6 tpp85 -134.79 136.0 42.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.0 t -116.47 143.04 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.07 -158.1 18.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.7 pt -124.21 156.31 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.458 ' CB ' HD11 ' A' ' 26' ' ' LEU . 18.3 p90 -158.27 150.68 17.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.68 138.3 37.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.543 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 12.1 ttt180 -64.01 -40.12 95.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -18.43 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.9 m-85 -89.05 -27.88 20.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.413 HD12 ' C ' ' A' ' 59' ' ' ILE . 2.2 pp -116.44 -179.29 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.166 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -139.01 149.62 44.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.9 mt -92.74 108.82 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.878 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -121.49 143.57 38.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.12 24.84 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.87 146.3 30.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -114.94 130.06 56.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.31 106.31 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 58' ' ' TYR . 35.8 mtmt -66.41 -40.61 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -129.78 164.13 24.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.63 123.14 25.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -107.5 144.81 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -120.9 106.19 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -68.09 113.59 5.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -57.45 -43.63 84.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.0 p -145.07 174.05 11.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -43.88 -47.29 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -40.01 -44.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.64 163.3 13.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.417 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 8.3 tp -123.2 130.95 24.37 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 151.76 69.17 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.5 HD12 ' CG ' ' A' ' 54' ' ' PHE . 24.2 mt -144.81 151.96 39.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -119.34 153.17 35.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -57.68 97.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.6 37.82 2.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.67 124.77 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mm -83.64 131.72 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.29 163.19 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -115.52 114.58 25.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mt -84.18 110.83 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -76.88 -47.98 19.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HE3' ' CD ' ' A' ' 44' ' ' GLU . 11.8 pttp -138.59 169.22 18.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -104.49 114.83 29.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 mm -68.8 -54.77 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -144.94 176.98 9.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -58.52 -24.74 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -125.75 24.15 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 80.3 m95 -138.67 159.84 41.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.514 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 18.3 m-85 -146.55 168.77 20.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' CD ' ' HE3' ' A' ' 36' ' ' LYS . 20.6 tt0 -135.91 123.56 22.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.75 -161.51 10.03 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -124.54 159.49 30.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -163.31 117.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 51.76 41.53 29.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.08 33.9 61.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 21.8 ttm105 -139.43 123.43 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -106.02 141.49 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.68 -149.15 6.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.8 pt -134.09 148.89 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CG ' HD12 ' A' ' 26' ' ' LEU . 20.1 p90 -155.7 151.98 23.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.681 0.753 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.51 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.71 148.71 66.01 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.514 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 59.3 ttt180 -73.91 -45.06 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.0 t -47.7 -28.54 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.495 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.6 m-85 -77.07 -34.85 57.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.3 pp -107.09 178.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -143.53 114.45 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.45 121.32 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -119.16 141.27 30.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.633 0.73 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 133.65 26.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.97 131.86 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -104.27 132.41 50.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.43 122.97 20.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -85.37 -39.21 17.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -128.26 156.47 42.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.9 136.56 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -120.45 166.43 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -143.37 106.82 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.428 ' HB2' ' N ' ' A' ' 25' ' ' PRO . . . -71.8 93.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -50.96 -38.57 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 p -136.36 -177.01 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tp -62.36 -47.89 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -40.08 -39.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -94.78 168.49 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.0 tp -131.48 131.71 23.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.428 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 53.3 Cg_endo -69.79 143.32 50.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.314 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.8 mt -135.77 158.5 44.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -123.4 143.07 50.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -52.01 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.76 41.9 2.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.455 ' OD1' ' CG1' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -112.15 133.89 54.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.842 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.8 mm -90.25 122.8 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' CG1' ' OD1' ' A' ' 30' ' ' ASP . 27.3 m -126.03 168.91 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -122.36 107.26 11.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.5 mt -77.71 109.49 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.44 ' CD2' ' HA2' ' A' ' 45' ' ' GLY . 52.0 m-85 -76.68 -48.85 17.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -132.9 176.58 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.557 ' HG3' ' CE1' ' A' ' 43' ' ' TYR . 50.1 tt0 -118.08 116.08 26.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 mm -72.54 -63.47 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -136.78 177.23 8.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -63.49 -17.91 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -127.89 20.61 6.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 87.6 m95 -140.87 159.67 41.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.557 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 27.3 m-85 -149.41 177.53 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -147.95 128.0 13.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.44 ' HA2' ' CD2' ' A' ' 35' ' ' TYR . . . -154.84 -152.06 6.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.508 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -126.92 148.43 50.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -162.89 124.7 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 49.63 54.18 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.72 24.21 32.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -128.16 135.67 50.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.02 147.59 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.65 -155.62 20.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.1 pt -125.9 160.22 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -160.36 149.74 14.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.727 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.77 139.41 40.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -64.72 -44.91 88.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.86 -18.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.511 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.0 m-85 -89.25 -33.29 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.9 pp -108.75 173.13 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -135.4 110.91 9.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.63 113.28 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.886 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -106.12 143.85 27.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 142.26 47.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.0 132.69 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -102.01 132.82 47.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.489 ' CB ' ' OD2' ' A' ' 30' ' ' ASP . . . -71.62 119.43 15.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -74.48 -39.9 62.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -130.57 171.8 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.21 107.23 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 26' ' ' LEU . 83.7 t80 -88.6 146.11 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -114.29 118.82 34.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.81 112.22 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.66 -43.21 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.4 p -138.21 172.2 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.9 mt -49.07 -39.77 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.38 -44.02 16.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -96.98 146.24 25.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 50' ' ' ARG . 3.7 tp -107.99 130.95 22.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 138.22 37.28 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' PHE . 84.9 mt -132.43 141.45 48.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -111.56 151.49 28.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -59.65 113.14 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.65 30.03 6.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 12' ' ' ALA . 1.6 p30 -109.35 142.05 40.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 mm -108.05 115.67 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.91 168.16 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -118.23 115.1 24.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.9 mt -84.14 110.2 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -79.7 -45.08 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -142.43 169.99 16.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -112.14 113.04 25.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mm -62.35 -61.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -135.21 171.64 14.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -60.14 -12.54 8.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -129.69 18.63 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 82.2 m95 -142.13 161.81 37.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.551 ' CD2' ' HB3' ' A' ' 56' ' ' ARG . 6.9 m-85 -139.61 -177.94 5.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -150.56 122.69 8.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.13 -163.46 11.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -123.61 158.08 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.401 ' O ' ' N ' ' A' ' 50' ' ' ARG . 35.9 t-80 -162.73 124.82 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 43.91 45.08 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.77 24.33 77.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.453 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 18.4 ttm180 -128.27 116.77 20.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.9 t -103.81 124.04 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.95 -173.35 26.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.1 pt -107.58 150.64 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -156.22 154.21 26.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.406 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.2 Cg_endo -69.78 137.69 35.99 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.551 ' HB3' ' CD2' ' A' ' 43' ' ' TYR . 17.6 ptt180 -71.42 -27.25 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.32 -6.36 13.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -99.97 -29.8 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.3 pp -109.86 168.23 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.063 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 9.2 pt-20 -131.35 118.58 20.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.18 119.02 8.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -114.56 143.07 29.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 144.95 55.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.63 135.49 11.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 11' ' ' ARG . 8.6 ttp-105 -104.5 132.93 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.14 111.93 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -73.14 -36.44 66.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -136.32 163.97 29.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -76.27 115.97 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -105.92 112.87 26.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -91.01 116.01 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.99 109.88 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -69.57 -28.74 66.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 p -141.2 154.23 45.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.0 mt -46.65 -34.8 5.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -49.67 -39.31 36.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -95.98 159.14 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 tp -116.63 130.94 24.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.717 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 142.55 48.09 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.502 HD13 ' CG ' ' A' ' 54' ' ' PHE . 91.9 mt -135.79 129.66 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -100.84 142.21 32.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -42.83 133.25 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.6 46.79 91.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 1.4 m-20 -111.96 131.11 55.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.834 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.6 mm -90.13 114.72 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.6 m -124.24 166.08 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -123.45 120.53 33.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.3 mt -86.69 114.58 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -83.73 -37.35 22.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.61 171.4 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -118.85 121.04 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 mm -73.74 -56.2 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.52 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -65.33 -6.05 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -131.13 12.72 5.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 91.3 m95 -137.89 167.15 22.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -149.82 173.69 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -144.3 125.75 14.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.25 -155.46 7.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -132.75 147.72 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.422 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 38.2 t-80 -160.06 123.54 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 58.36 53.47 6.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.71 31.96 58.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -133.35 164.02 28.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.9 t -141.33 143.25 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.55 -146.12 5.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 pt -137.01 156.77 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.502 ' CG ' HD13 ' A' ' 26' ' ' LEU . 7.0 p90 -160.0 153.3 18.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.67 0.747 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.521 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.76 142.72 48.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -74.31 -17.69 60.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -2.11 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.417 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.8 m-85 -107.91 -27.01 10.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.465 ' CD1' ' C ' ' A' ' 59' ' ' ILE . 1.8 pp -108.27 170.9 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' N ' HD12 ' A' ' 59' ' ' ILE . 12.0 tp10 -133.5 111.96 11.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.17 127.11 29.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.467 ' HD2' ' CD2' ' A' ' 61' ' ' LEU . 6.6 ptp85 -116.94 153.2 49.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.4 66.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.75 128.35 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -97.28 134.67 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.0 110.72 17.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 26.2 mmmt -66.42 -36.71 83.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.495 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 4.2 m-85 -140.92 145.35 35.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -63.56 111.55 2.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CE1' ' CD ' ' A' ' 55' ' ' PRO . 80.5 t80 -88.48 149.81 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -116.89 114.26 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB3' ' C ' ' A' ' 23' ' ' GLU . . . -83.14 112.2 19.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -65.6 -40.25 92.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.0 p -132.46 -175.42 3.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.38 -41.99 98.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 5.0 ttpm? -43.68 -42.14 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' C ' ' HB3' ' A' ' 18' ' ' ALA . 11.7 mt-10 -95.65 160.84 14.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tp -125.36 132.74 24.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.631 0.729 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 141.9 46.71 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.8 mt -129.13 159.55 35.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -131.59 137.98 48.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -49.16 113.56 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.71 36.41 6.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.498 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.447 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 1.1 m-20 -111.29 132.39 54.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.328 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.36 102.19 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.02 157.55 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -108.97 107.31 17.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mt -73.96 110.34 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -76.57 -48.83 18.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -145.17 178.79 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -112.56 130.75 55.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.7 mm -88.85 -46.27 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -152.08 177.38 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -65.08 -12.89 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -131.87 14.6 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -140.97 147.69 39.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -135.34 179.05 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -139.77 136.66 34.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.49 -156.06 8.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -133.18 150.33 52.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.447 ' NE2' ' OD2' ' A' ' 30' ' ' ASP . 44.2 t-80 -163.83 125.88 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 55.71 50.69 13.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.09 36.73 68.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -137.91 148.48 45.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.96 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.05 -171.47 40.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 pt -110.15 162.64 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -160.2 151.34 15.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.75 138.54 38.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -38.98 92.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -15.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.2 m-85 -92.38 -30.25 15.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.2 pp -108.64 178.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -143.83 116.82 8.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 38.3 mt -62.48 106.66 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.857 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -114.35 174.69 5.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -111.83 156.04 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.55 -101.66 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.561 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.1 p -115.96 139.89 49.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -125.25 123.74 40.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.26 168.5 29.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -106.38 143.71 27.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 127.97 15.31 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.53 143.83 28.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -109.8 135.61 50.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.55 108.74 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -69.23 -31.29 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -144.71 154.49 42.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.13 144.0 56.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -133.04 130.77 39.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -100.33 112.31 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' HB2' ' C ' ' A' ' 23' ' ' GLU . . . -81.55 110.5 16.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.29 -45.41 80.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.4 p -129.04 178.76 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.8 mt -56.93 -49.47 75.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' LEU . 6.7 ttpm? -37.54 -43.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 16.1 mt-10 -97.38 155.07 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.472 ' CD1' ' HD2' ' A' ' 25' ' ' PRO . 3.6 tp -122.99 138.54 29.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.73 157.89 58.9 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.317 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.9 mt -150.39 159.81 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -133.73 143.93 48.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.34 94.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.71 -25.65 5.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.1 138.64 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.783 0.325 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 mm -96.64 148.41 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.0 m -141.91 167.04 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -121.12 109.99 15.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -80.05 113.79 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.205 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -80.51 -41.54 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -146.58 171.5 14.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -110.38 119.76 40.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mm -67.2 -61.57 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -137.4 -175.54 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -66.78 -18.05 65.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -128.19 20.68 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -138.9 164.13 30.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 14.3 m-85 -145.84 174.36 11.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -143.8 129.75 19.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.34 -152.33 6.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -143.09 149.67 38.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -163.04 118.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 65.6 54.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.33 32.89 45.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 28.1 ttt85 -137.39 139.48 40.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.7 t -122.07 136.63 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.48 -153.89 8.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.7 pt -130.67 152.63 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 111.165 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -156.46 156.12 29.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.73 150.7 68.74 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 42.8 ptt85 -77.51 -18.95 56.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -5.76 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.436 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.3 m-85 -103.65 -27.64 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 59' ' ' ILE . 1.9 pp -109.65 171.98 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -139.39 109.74 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.4 mt -56.62 106.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.6 mt -55.98 166.9 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -129.3 134.2 47.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.32 -95.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.372 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.9 t -157.49 111.79 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -130.81 97.74 4.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 100.0 p -138.95 144.92 39.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.387 . . . . 0.0 110.825 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -101.65 -32.75 10.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.59 -111.61 3.88 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -113.74 171.95 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -155.34 156.75 36.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.4 -176.35 43.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -106.88 144.01 28.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.717 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 125.07 11.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.27 140.34 37.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -107.59 140.64 40.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.19 115.0 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -76.46 -37.38 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -133.06 163.67 28.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.19 130.16 39.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -121.44 120.07 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -96.95 116.78 29.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.03 110.92 17.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -62.07 -44.8 95.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 p -137.54 175.97 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.4 tp -50.11 -50.97 46.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 21' ' ' LEU . 26.7 tttt -34.24 -44.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -100.83 159.56 15.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' CD1' ' HD2' ' A' ' 25' ' ' PRO . 3.1 tp -125.07 138.38 31.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.711 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.77 154.25 67.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.462 HD11 ' CG ' ' A' ' 54' ' ' PHE . 54.1 mt -148.13 113.29 5.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -82.68 142.86 31.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -54.34 104.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.9 37.39 3.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.75 141.37 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.9 mm -94.81 118.08 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.2 m -122.37 156.03 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -113.67 115.6 28.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 mt -88.74 120.1 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -88.46 -41.97 12.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -136.54 169.34 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -115.15 103.39 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.3 mm -53.6 -67.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.23 -178.93 5.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -65.38 -16.69 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -127.72 21.09 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.49 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 83.2 m95 -142.36 161.57 37.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 17.8 m-85 -146.91 171.95 14.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.429 ' OE1' ' CG2' ' A' ' 53' ' ' ILE . 16.3 tp10 -140.77 126.91 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.9 -157.43 8.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -134.66 139.41 45.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -140.24 116.04 10.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 51.0 53.81 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.67 36.52 92.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -137.95 115.91 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.4 t -97.37 126.55 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.71 168.57 39.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.429 ' CG2' ' OE1' ' A' ' 44' ' ' GLU . 9.6 pt -98.49 151.18 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.462 ' CG ' HD11 ' A' ' 26' ' ' LEU . 12.5 p90 -154.74 154.86 29.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.69 148.3 65.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 46.9 ttp180 -76.0 -35.96 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.78 -11.21 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 14.5 m-85 -95.64 -29.97 14.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.2 pp -110.58 172.3 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -134.08 117.72 16.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.82 110.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 mt -81.72 103.06 11.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m -67.98 123.67 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.61 -88.11 0.51 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 167.74 23.59 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.694 2.263 . . . . 0.0 112.292 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.9 p -138.0 130.04 28.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -50.01 133.82 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -102.79 -46.24 4.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.819 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -166.51 123.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.25 -103.42 2.56 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -91.67 113.25 25.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' CZ ' ' A' ' 8' ' ' ARG . 2.1 m -113.39 134.72 54.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.58 146.17 22.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' CZ ' ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -104.51 143.27 26.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.723 . . . . 0.0 110.85 -179.811 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 150.97 68.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.293 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.6 141.34 10.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -108.52 133.04 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.13 116.3 18.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -73.2 -45.6 55.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -120.78 179.88 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -90.51 133.26 35.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -125.8 128.26 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.08 130.99 47.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB2' ' N ' ' A' ' 25' ' ' PRO . . . -97.57 111.61 23.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.24 -45.79 75.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.0 p -133.2 177.72 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 22' ' ' LYS . 36.2 mt -51.91 -48.93 63.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 21' ' ' LEU . 23.2 ttpt -36.8 -46.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -95.39 164.74 12.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.46 HD12 ' CG ' ' A' ' 50' ' ' ARG . 5.2 tp -134.25 136.17 25.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.434 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 54.1 Cg_endo -69.74 143.84 52.23 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.0 mt -143.8 105.03 4.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.59 144.33 35.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -48.38 104.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.02 39.53 3.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.442 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -110.24 133.5 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.5 mm -95.64 119.82 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.75 167.92 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -118.8 110.67 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.3 mt -76.52 111.57 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.186 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -83.34 -47.71 11.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.58 174.14 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -116.03 107.57 15.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.0 mm -61.53 -59.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -138.72 -177.09 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -69.43 -14.06 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -130.74 19.09 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 86.0 m95 -136.99 167.74 20.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 10.0 m-85 -151.49 168.93 23.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -139.0 124.51 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.59 -161.27 10.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' OE1' ' C ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -125.34 153.42 43.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.374 . . . . 0.0 110.842 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -164.66 130.55 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 45.91 48.85 12.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.37 30.07 73.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.46 ' CG ' HD12 ' A' ' 24' ' ' LEU . 7.3 tpp85 -131.1 141.82 50.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.2 t -122.76 137.71 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.22 -165.92 33.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.6 pt -113.49 158.56 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -162.89 148.93 10.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.8 Cg_endo -69.77 143.05 49.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.509 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 18.4 ttt180 -70.34 -43.0 71.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -49.34 -25.45 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.7 m-85 -80.02 -33.38 39.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.9 pp -107.2 174.72 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -141.31 115.11 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.4 138.68 56.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.4 mt -95.51 162.47 13.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.9 t -88.49 161.49 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -147.72 -176.8 21.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 171.11 15.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.3 m -160.88 161.25 31.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 t -84.61 126.12 33.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -112.13 171.25 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -77.08 167.13 22.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.96 -139.05 6.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 p -125.66 115.17 19.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -82.79 125.93 31.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.81 166.78 36.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -115.44 143.56 30.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 123.8 10.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.1 139.09 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -111.84 132.8 54.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 119.11 14.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -79.43 -37.69 36.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -133.82 174.06 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -81.14 126.6 31.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -119.67 123.01 42.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -99.45 101.06 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB3' ' N ' ' A' ' 25' ' ' PRO . . . -54.45 109.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -55.21 -45.69 75.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.9 p -143.31 173.43 11.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.5 tp -45.78 -44.33 13.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -42.51 -45.63 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 9.4 mt-10 -95.87 161.47 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 50' ' ' ARG . 6.9 tp -121.52 135.9 25.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.644 0.735 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.454 ' N ' ' HB3' ' A' ' 18' ' ' ALA . 53.2 Cg_endo -69.82 148.6 65.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.69 2.26 . . . . 0.0 112.298 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 ' CG ' ' A' ' 54' ' ' PHE . 17.8 mt -140.38 139.03 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -108.74 142.37 39.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -49.38 107.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.6 39.17 4.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -110.79 137.52 48.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.7 mm -93.14 132.24 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.1 m -141.34 163.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -118.9 110.98 17.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -79.84 110.04 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.402 ' OH ' ' CB ' ' A' ' 46' ' ' GLU . 24.7 m-85 -77.6 -40.47 42.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -146.6 177.58 8.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -117.76 110.6 18.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 53' ' ' ILE . 10.2 mm -59.45 -60.07 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -136.25 -176.54 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -18.43 65.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -128.74 25.25 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.425 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 79.9 m95 -139.61 167.68 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.55 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 14.9 m-85 -153.92 161.11 42.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -131.62 126.16 34.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.57 -161.15 10.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' CB ' ' OH ' ' A' ' 35' ' ' TYR . 26.5 tt0 -125.49 152.1 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -158.68 127.33 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.0 t60 50.68 34.81 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.07 17.54 78.14 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 16.1 ttm180 -124.12 121.44 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.12 130.93 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.79 -166.5 21.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.444 HG22 ' CD1' ' A' ' 38' ' ' ILE . 6.0 pt -117.21 155.93 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.434 ' CG ' HD13 ' A' ' 26' ' ' LEU . 10.9 p90 -161.54 153.78 16.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.659 0.742 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.456 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.8 144.82 55.05 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.55 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 24.5 ttp85 -73.19 -30.14 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -63.37 -7.5 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.456 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 13.0 m-85 -103.14 -27.6 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 60' ' ' GLU . 1.8 pp -107.65 -178.45 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' N ' ' CD1' ' A' ' 59' ' ' ILE . 15.7 tt0 -151.47 113.04 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.5 mt -53.78 130.66 37.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.0 mt -95.92 104.16 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.1 t -142.76 136.86 29.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.76 -158.52 37.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 98.27 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.4 t -38.32 155.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.6 p -56.37 -34.99 67.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 m -75.36 154.87 37.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.932 0.396 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 p -89.99 93.14 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.26 -59.87 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.525 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -149.77 142.01 24.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.376 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 t -94.92 132.42 39.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.8 -175.43 38.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -125.8 143.92 46.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.11 11.75 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.295 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.42 146.77 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -120.1 133.06 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.54 116.11 19.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 2.0 mmmm -73.39 -35.07 65.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 4.3 m-85 -134.0 171.93 13.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.2 135.01 35.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -129.23 133.41 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -105.12 119.53 39.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB1' ' N ' ' A' ' 25' ' ' PRO . . . -79.56 102.11 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.57 -42.79 64.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.2 p -145.66 175.33 10.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.22 -46.6 9.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -39.38 -49.08 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -94.75 163.93 13.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD22 ' CB ' ' A' ' 47' ' ' HIS . 5.7 tp -127.68 134.83 26.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.432 ' N ' ' HB1' ' A' ' 18' ' ' ALA . 54.1 Cg_endo -69.75 135.84 31.5 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.392 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.511 HD11 ' CG ' ' A' ' 54' ' ' PHE . 38.3 mt -132.05 133.49 44.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.4 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 6.7 tt0 -105.48 141.93 36.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -46.36 118.73 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.89 41.61 12.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -111.32 137.18 49.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.0 mm -93.53 122.03 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.2 m -126.14 161.37 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -117.01 109.32 16.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.3 mt -77.01 116.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -82.96 -42.82 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -141.68 179.08 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -119.75 105.24 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mm -60.41 -56.14 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -138.44 -179.0 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.61 -23.07 66.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -123.76 14.53 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 84.3 m95 -129.42 157.44 41.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -144.3 175.11 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -147.88 122.07 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.87 -150.98 5.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.498 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -132.02 148.8 52.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.462 ' CB ' HD22 ' A' ' 24' ' ' LEU . 16.4 t-80 -158.7 117.56 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 59.65 42.79 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.7 30.32 76.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -134.04 138.62 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.4 t -114.03 143.35 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.62 -161.66 25.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.1 pt -123.42 152.67 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CG ' HD11 ' A' ' 26' ' ' LEU . 12.1 p90 -153.42 148.55 19.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.748 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.3 Cg_endo -69.77 139.42 40.16 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -64.39 -42.25 96.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -18.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 8.9 m-85 -89.25 -32.64 17.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.439 HD11 ' N ' ' A' ' 60' ' ' GLU . 2.3 pp -109.95 -175.27 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' N ' HD11 ' A' ' 59' ' ' ILE . 19.6 pt-20 -145.55 133.24 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.0 mt -75.35 97.78 3.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.94 87.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.2 p -136.56 138.01 40.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.45 80.83 0.33 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 113.2 3.3 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.363 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t -65.53 -55.12 19.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.8 m -50.33 134.29 23.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.468 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 m -101.1 99.16 9.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 p -106.73 -51.01 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.38 -152.9 6.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -55.7 126.07 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -102.07 158.09 16.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.38 163.05 6.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -128.53 143.61 48.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 144.28 53.81 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.7 134.09 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' CZ ' ' HA2' ' A' ' 29' ' ' GLY . 12.4 ttt-85 -101.69 129.59 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.07 112.26 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -71.53 -35.06 70.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -129.44 173.11 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.63 109.11 20.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.654 ' CE2' ' CD ' ' A' ' 55' ' ' PRO . 43.5 t80 -90.45 142.19 27.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -116.26 117.73 30.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.53 109.1 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -66.69 -41.57 87.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.7 p -134.06 168.06 19.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.6 tt -47.44 -48.5 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -37.56 -40.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -101.58 157.83 16.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' CD1' ' HD2' ' A' ' 25' ' ' PRO . 8.8 tp -121.48 134.66 24.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.424 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.76 152.4 69.3 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.52 HD12 ' CG ' ' A' ' 54' ' ' PHE . 8.4 mt -145.02 128.82 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.4 ' HB3' ' CG ' ' A' ' 30' ' ' ASP . 9.4 tp60 -97.46 143.31 28.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -53.27 111.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' HA2' ' CZ ' ' A' ' 11' ' ' ARG . . . 92.92 37.33 5.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.412 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 1.7 m-20 -112.01 128.08 56.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.0 mm -87.88 111.93 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 m -114.07 166.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.183 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -119.47 110.48 16.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.5 mt -78.95 111.74 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -76.27 -47.36 24.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HD3' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -146.29 162.9 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 37.7 tt0 -97.38 125.54 42.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.8 mm -79.05 -61.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -134.25 -179.27 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -64.0 -18.68 64.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -130.65 22.47 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -138.04 161.68 36.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 12.7 m-85 -144.64 -179.93 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -146.42 125.02 12.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.72 -167.07 17.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 1.6 tm-20 -120.23 151.22 39.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.456 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 22.2 t-80 -161.98 128.28 3.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 24.8 t-80 50.32 53.78 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.51 34.25 59.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.473 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -136.61 158.78 43.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.69 144.84 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.57 -165.42 35.7 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.7 pt -116.01 155.95 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CG ' HD12 ' A' ' 26' ' ' LEU . 15.2 p90 -157.82 150.75 18.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.654 ' CD ' ' CE2' ' A' ' 16' ' ' PHE . 53.8 Cg_endo -69.76 133.56 25.88 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.513 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 5.3 ptm180 -61.69 -42.37 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.1 p -48.43 -23.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 8.6 m-85 -81.51 -30.96 33.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.41 HD13 ' N ' ' A' ' 60' ' ' GLU . 2.4 pp -109.99 -176.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' N ' HD13 ' A' ' 59' ' ' ILE . 5.4 tp10 -147.12 114.38 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.76 120.83 10.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.3 mt -78.61 98.16 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.1 p -59.29 91.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.8 83.27 0.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.66 3.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.8 m -73.87 -53.22 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.1 t -100.19 161.03 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m -68.61 85.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t 64.27 42.48 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.21 105.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -85.88 160.91 19.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 m -77.53 -53.13 7.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.47 143.9 44.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -116.62 143.42 31.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 128.22 15.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.28 142.71 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -115.82 132.87 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.9 118.53 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -77.23 -33.6 56.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -127.74 175.73 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.66 99.66 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CE1' ' CD ' ' A' ' 55' ' ' PRO . 74.5 t80 -87.55 134.95 33.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.93 120.74 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' HB1' ' C ' ' A' ' 23' ' ' GLU . . . -84.88 105.44 15.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -63.41 -39.76 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.2 p -135.19 168.79 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' LYS . 34.8 tp -49.5 -49.15 46.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LEU . 14.5 mmmt -37.6 -41.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' C ' ' HB1' ' A' ' 18' ' ' ALA . 12.7 mt-10 -99.27 149.73 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.432 ' CD1' ' HD2' ' A' ' 25' ' ' PRO . 14.9 tp -112.45 133.92 21.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.432 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.79 144.81 55.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 54' ' ' PHE . 28.1 mt -140.29 128.3 22.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -98.24 144.77 27.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -50.08 107.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.43 34.04 6.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.466 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 5.6 m-20 -106.57 137.91 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mm -95.88 130.56 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.56 164.96 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -117.52 114.74 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.9 mt -84.1 108.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -78.65 -45.84 20.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -135.65 174.03 11.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -118.91 113.71 21.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.42 HG13 ' CG2' ' A' ' 53' ' ' ILE . 19.9 mm -67.32 -65.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -130.46 -179.52 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -65.42 -19.68 66.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -124.81 20.07 8.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.546 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 91.4 m95 -138.92 163.68 31.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 21.5 m-85 -147.46 -178.55 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -147.29 127.08 13.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.04 -156.55 8.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.447 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -126.08 153.05 45.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.466 ' CE1' ' OD2' ' A' ' 30' ' ' ASP . 12.0 t-80 -164.55 124.24 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 23.7 t-160 60.03 42.25 16.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.75 33.14 86.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -134.95 172.52 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.2 t -140.56 142.1 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.83 -171.51 44.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.42 ' CG2' HG13 ' A' ' 38' ' ' ILE . 19.9 pt -113.56 155.28 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.569 ' CD2' HD11 ' A' ' 26' ' ' LEU . 2.6 p90 -154.07 155.2 30.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.546 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.4 Cg_endo -69.76 135.75 31.26 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.53 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 27.9 ttt85 -66.73 -41.86 87.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.94 -17.48 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.169 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.454 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 7.6 m-85 -88.26 -32.71 18.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.63 178.8 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -146.86 129.32 15.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.31 112.73 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.79 136.98 57.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -89.12 160.68 16.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.14 155.88 26.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.6 Cg_endo -69.71 119.55 6.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' PRO . 59.5 p 36.56 41.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 t -96.99 86.04 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -130.27 106.98 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -78.9 100.21 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.33 -105.88 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.454 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -147.91 135.28 20.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -124.67 147.79 48.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.2 -179.58 17.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.523 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -123.37 144.18 43.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 128.5 16.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.05 132.83 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -103.45 143.63 32.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.69 106.39 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -65.57 -35.14 79.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -133.3 172.41 12.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -83.99 130.6 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -116.61 142.55 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -116.01 119.76 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' HB2' ' N ' ' A' ' 25' ' ' PRO . . . -91.11 111.74 23.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.047 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -68.34 -39.58 81.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -141.12 175.27 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 22' ' ' LYS . 13.6 tp -48.23 -49.42 33.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 21' ' ' LEU . 5.6 tmtm? -35.0 -49.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' C ' ' HB1' ' A' ' 18' ' ' ALA . 10.1 mt-10 -98.03 155.91 16.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' CD1' ' HD2' ' A' ' 25' ' ' PRO . 10.6 tp -119.1 133.36 23.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 53.3 Cg_endo -69.79 135.7 31.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.641 2.227 . . . . 0.0 112.318 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 54' ' ' PHE . 35.5 mt -128.08 155.98 43.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' HB2' ' CG ' ' A' ' 30' ' ' ASP . 30.2 mt-30 -131.36 144.79 51.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -52.88 114.08 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.84 28.89 17.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.422 ' CG ' ' HB2' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -103.89 124.0 48.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.4 mm -84.25 122.33 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.4 m -125.49 161.59 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -115.5 112.64 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.5 mt -86.79 121.14 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -87.72 -43.85 11.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HE3' ' CD1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -145.97 162.53 37.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -98.41 115.74 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.425 ' CD1' ' HE3' ' A' ' 36' ' ' LYS . 5.1 mm -65.18 -64.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -128.97 -178.09 4.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -67.16 -15.54 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -132.89 23.65 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CE3' HD11 ' A' ' 53' ' ' ILE . 65.7 m95 -140.51 168.73 19.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -148.38 175.39 11.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -143.63 122.42 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.33 -162.21 11.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 40.1 tt0 -123.2 158.74 30.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.419 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 55.0 t-80 -163.01 110.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.402 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 12.1 t-80 58.06 44.69 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.86 28.58 70.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -133.83 124.53 26.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.7 t -108.74 134.0 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.22 -154.43 8.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.406 HD11 ' CE3' ' A' ' 42' ' ' TRP . 10.9 pt -128.27 161.09 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CB ' HD13 ' A' ' 26' ' ' LEU . 9.6 p90 -164.88 149.77 8.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.77 137.12 34.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 6.4 tmm_? -59.36 -48.29 82.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.5 p -44.92 -30.79 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.2 m-85 -74.74 -36.8 62.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 pp -108.2 -175.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -150.16 127.27 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.29 117.33 9.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 mt -75.33 146.02 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -126.32 155.93 41.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.61 -174.2 46.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.35 62.62 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.244 . . . . 0.0 112.324 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.5 m -125.81 139.24 53.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.0 t -110.85 134.49 52.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.464 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 51.66 41.18 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -132.98 144.56 50.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.74 163.05 29.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -87.14 131.65 34.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -71.69 -36.73 70.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.0 168.22 22.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -108.94 144.16 29.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.58 17.84 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.25 148.95 33.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' NH2' ' OE2' ' A' ' 60' ' ' GLU . 54.2 ttp180 -117.79 130.17 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.31 110.5 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.47 -38.81 92.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.439 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -131.11 163.64 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.45 105.8 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -90.84 139.55 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -107.9 128.11 54.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.34 128.24 42.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -85.7 -33.64 21.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -140.81 174.8 10.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 mp -51.64 -46.95 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ILE . 11.7 tppt? -41.13 -43.27 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -96.89 157.88 15.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 50' ' ' ARG . 13.5 tp -126.28 132.91 24.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.453 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.78 133.18 24.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.519 HD12 ' CG ' ' A' ' 54' ' ' PHE . 40.0 mt -125.99 152.96 45.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -123.94 158.99 30.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -62.54 109.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.1 43.97 5.19 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.35 133.45 54.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.6 mm -94.98 114.46 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.93 165.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -118.7 110.47 17.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.7 mt -78.79 112.34 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -78.21 -42.13 32.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -145.83 175.64 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -117.9 118.33 31.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.9 mm -71.9 -60.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -131.08 177.3 7.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -66.23 -13.68 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -129.03 12.31 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 78.7 m95 -130.07 162.23 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 19.3 m-85 -147.08 175.96 10.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -149.38 129.15 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.8 -145.61 4.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -140.34 148.42 41.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -161.9 126.6 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.7 m170 54.35 42.85 31.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.28 32.07 82.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.462 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 22.2 ttm-85 -134.6 134.86 41.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.0 t -114.7 133.43 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.68 -155.95 9.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' LYS . 11.0 pt -128.18 156.7 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 111.148 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.519 ' CG ' HD12 ' A' ' 26' ' ' LEU . 7.2 p90 -157.87 153.84 23.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.518 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.78 144.65 54.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 2.8 tpt180 -69.61 -44.99 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -19.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.518 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.8 m-85 -86.63 -30.64 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.3 pp -112.05 171.63 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' OE2' ' NH2' ' A' ' 11' ' ' ARG . 8.0 pt-20 -135.23 118.31 16.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.57 108.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.74 154.36 30.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.8 p -70.46 163.06 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.3 79.67 0.17 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 105.23 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.4 p -95.07 143.5 26.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.7 m -76.71 155.74 33.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.463 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -80.16 -54.52 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.4 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -65.3 148.9 50.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.3 109.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.5 m -104.59 47.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 p -62.69 -34.68 77.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.53 158.81 5.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -121.6 143.21 37.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.4 19.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.634 2.223 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.9 131.74 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -101.4 130.86 47.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.83 112.55 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -72.98 -37.87 66.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -132.01 165.13 24.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.93 105.38 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -89.95 146.11 24.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -119.19 124.7 47.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.17 114.36 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.23 -43.98 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.7 p -127.1 179.11 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 mp -58.04 -47.7 82.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -38.96 -42.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -97.05 153.34 17.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 47' ' ' HIS . 5.5 tp -121.36 133.27 24.16 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 142.94 49.21 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.8 mt -134.2 124.17 25.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -91.11 144.22 25.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -50.42 104.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.08 44.84 3.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.499 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -111.09 134.92 52.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.1 mm -93.39 114.86 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.1 m -123.57 162.58 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -116.49 110.7 18.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.546 HG21 ' CD1' ' A' ' 43' ' ' TYR . 24.6 mt -81.69 113.26 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -80.15 -45.3 18.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -141.72 170.31 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -112.46 114.66 27.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.444 HG13 ' CG2' ' A' ' 53' ' ' ILE . 30.4 mm -62.8 -65.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -130.18 174.88 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 29.7 tp60 -61.61 -13.26 20.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -129.34 13.21 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -134.7 164.23 27.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.546 ' CD1' HG21 ' A' ' 34' ' ' ILE . 12.4 m-85 -143.65 -178.79 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -150.92 123.58 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.97 -157.21 7.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 20.5 tt0 -128.12 156.53 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.468 ' CB ' HD22 ' A' ' 24' ' ' LEU . 23.4 t-80 -163.55 122.16 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t60 51.09 42.82 29.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.85 22.5 78.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.405 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 19.5 ttm180 -128.93 120.04 25.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.2 t -101.5 126.96 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.9 179.93 35.12 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.444 ' CG2' HG13 ' A' ' 38' ' ' ILE . 22.7 pt -101.8 159.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.165 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -165.18 155.16 11.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.58 42.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.503 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 31.1 ptt180 -70.34 -40.58 74.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 14.9 t -51.19 -24.85 4.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -79.99 -31.03 39.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.439 HD11 ' N ' ' A' ' 60' ' ' GLU . 2.3 pp -109.64 176.82 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' N ' HD11 ' A' ' 59' ' ' ILE . 11.7 tt0 -146.04 110.8 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.1 mt -54.4 118.55 4.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.0 mt -75.83 -48.07 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.8 p -79.58 173.34 12.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.43 164.23 9.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.435 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 121.14 7.84 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.372 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 t -105.45 147.99 27.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 t -58.86 -46.41 87.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 p -100.18 170.96 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -131.54 -45.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.38 -93.95 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 p -125.31 172.63 9.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -143.73 138.11 28.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.16 172.18 54.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.8 mtm-85 -111.99 143.05 27.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 122.66 9.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.288 . . . . 0.0 112.311 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.42 147.11 34.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -115.29 137.06 52.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.33 111.33 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 58' ' ' TYR . 14.8 mmmt -68.95 -31.77 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -136.46 166.57 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -81.73 113.12 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 17' ' ' LYS . 26.7 t80 -102.04 150.32 23.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 21.9 pttp -124.65 122.53 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' HB1' ' C ' ' A' ' 24' ' ' LEU . . . -91.25 114.9 27.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.78 -34.3 66.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 p -140.05 174.49 10.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 mp -50.86 -47.08 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -39.14 -42.84 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' C ' ' HB3' ' A' ' 18' ' ' ALA . 13.8 mt-10 -100.26 159.46 15.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 50' ' ' ARG . 4.9 tp -124.71 133.01 24.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.609 0.718 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.74 26.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.342 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.9 mt -133.18 143.42 49.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -114.41 143.13 45.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -55.12 119.38 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.66 -26.91 22.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.77 151.92 37.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -112.8 138.0 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.9 m -132.7 172.0 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -121.45 114.71 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.437 HG21 ' CD1' ' A' ' 43' ' ' TYR . 24.1 mt -84.2 115.17 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -82.92 -46.05 13.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -137.53 177.69 7.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -119.18 103.62 9.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.66 -67.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -128.99 -179.02 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.438 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 58.7 mt-30 -65.0 -13.66 58.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -131.64 15.21 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.424 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 78.1 m95 -132.18 158.08 42.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CD2' ' HB3' ' A' ' 56' ' ' ARG . 12.7 m-85 -140.13 178.79 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -146.46 124.19 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.71 -172.88 20.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -124.54 145.92 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -161.0 125.53 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 59.77 44.05 14.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.5 21.35 64.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' CG ' HD11 ' A' ' 24' ' ' LEU . 9.6 tpt180 -123.35 143.09 50.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.3 t -127.11 142.75 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.92 -155.95 14.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.5 pt -128.19 150.39 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -152.97 152.82 28.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.746 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.76 128.51 16.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.545 ' HB3' ' CD2' ' A' ' 43' ' ' TYR . 26.7 ptt180 -57.4 -19.04 20.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 p -71.03 -22.54 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.487 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.4 m-85 -88.25 -22.71 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.404 HD13 ' C ' ' A' ' 59' ' ' ILE . 2.2 pp -117.56 175.68 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.97 137.9 28.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.7 mt -79.25 104.08 9.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.0 mt -56.46 146.36 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.7 p -70.57 122.97 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.94 83.3 0.34 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.94 11.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.1 t -44.38 -34.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -116.57 134.54 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m 45.38 48.56 10.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.4 p -63.95 -44.21 93.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -96.81 -118.95 3.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.548 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.6 m 35.22 45.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -107.8 114.96 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.41 157.3 21.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -108.53 143.88 28.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 141.53 45.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.84 129.67 13.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -98.37 124.73 43.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.82 113.82 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -69.92 -33.41 72.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -140.1 155.63 46.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -67.14 128.32 35.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -110.91 140.87 45.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -115.33 115.17 26.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' HB1' ' N ' ' A' ' 25' ' ' PRO . . . -84.37 113.14 20.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -69.13 -37.48 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -137.56 177.58 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 tp -55.43 -44.58 76.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.04 -44.55 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' C ' ' HB3' ' A' ' 18' ' ' ALA . 10.1 mt-10 -95.54 163.2 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 50' ' ' ARG . 5.6 tp -125.87 132.43 24.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.672 0.749 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.461 ' N ' ' HB1' ' A' ' 18' ' ' ALA . 54.0 Cg_endo -69.7 147.63 63.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.362 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mt -147.06 165.58 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -134.33 155.56 50.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -57.03 101.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.88 44.23 2.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.11 137.0 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 mm -94.01 118.29 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 m -125.6 158.08 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -113.73 112.3 23.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.8 mt -84.64 117.07 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -85.32 -41.07 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -140.97 174.24 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -115.88 107.9 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.409 HG13 ' CG2' ' A' ' 53' ' ' ILE . 25.7 mm -58.09 -60.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -139.65 176.08 9.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -63.58 -11.66 26.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -131.47 19.94 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.48 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 88.3 m95 -142.54 170.18 16.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 22.4 m-85 -152.14 176.78 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -144.54 124.06 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.18 -162.49 11.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -124.31 151.33 44.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -157.08 108.3 2.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 61.39 54.02 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.03 26.18 65.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 19.2 ttm-85 -130.83 123.81 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.843 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.0 t -106.86 134.34 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.87 -169.78 34.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.409 ' CG2' HG13 ' A' ' 38' ' ' ILE . 8.4 pt -109.19 162.66 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -165.49 151.93 8.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.7 Cg_endo -69.77 140.44 42.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -69.71 -42.13 74.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -51.36 -20.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.465 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.9 m-85 -85.52 -32.39 22.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.463 HD11 ' N ' ' A' ' 60' ' ' GLU . 1.9 pp -110.58 175.01 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.463 ' N ' HD11 ' A' ' 59' ' ' ILE . 6.3 tp10 -138.08 119.79 15.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mt -67.9 130.86 44.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.7 mt -91.93 170.36 9.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.3 p -119.82 -177.0 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.75 83.47 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.75 3.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.3 p -52.31 142.37 17.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.3 m -66.08 -60.59 2.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -140.85 132.67 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -100.18 43.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.86 -116.29 0.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m 50.57 48.44 22.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -128.75 143.39 50.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 34' ' ' ILE . . . -136.75 -157.84 7.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.451 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -117.11 143.65 32.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 123.17 9.85 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.691 2.26 . . . . 0.0 112.363 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.51 146.51 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.046 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -113.74 132.71 55.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.61 112.2 16.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -69.27 -35.63 76.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -133.59 170.69 15.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.75 115.46 23.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -92.56 155.66 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -124.38 107.51 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HB3' ' C ' ' A' ' 23' ' ' GLU . . . -78.66 117.86 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -69.22 -42.0 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.2 p -142.69 171.72 13.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' LYS . 14.0 mt -42.59 -47.41 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LEU . 7.0 tmtm? -37.93 -48.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' C ' ' HB3' ' A' ' 18' ' ' ALA . 74.0 mt-10 -96.21 158.15 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' CD1' ' HD2' ' A' ' 25' ' ' PRO . 8.5 tp -121.52 131.82 24.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.596 0.713 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.84 140.41 42.33 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.1 mt -125.43 163.98 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -140.28 142.18 35.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -47.73 117.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.89 36.0 17.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 2.8 m-20 -106.67 128.17 53.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.836 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 mm -95.14 114.71 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.74 163.93 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -115.15 108.29 16.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.491 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 54.4 mt -78.6 117.14 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -83.02 -44.3 15.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -144.57 145.67 31.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -89.79 113.82 25.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mm -62.78 -60.31 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -138.39 173.73 11.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -56.86 -18.06 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -129.72 24.33 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 86.2 m95 -143.46 155.16 44.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.416 ' CD1' HG22 ' A' ' 34' ' ' ILE . 33.3 m-85 -140.7 -179.91 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -153.9 119.2 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.28 -146.9 4.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -139.52 141.39 37.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.44 ' CE1' ' OD2' ' A' ' 30' ' ' ASP . 27.6 t-80 -148.83 132.64 16.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 42.82 48.42 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.85 34.56 90.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -137.32 118.97 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.44 132.06 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.58 -172.0 37.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 pt -109.77 161.83 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -162.92 152.44 12.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.76 143.03 49.55 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.659 2.24 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -69.67 -43.79 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -47.32 -24.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 12.0 m-85 -82.56 -34.81 27.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.436 ' CD1' ' N ' ' A' ' 60' ' ' GLU . 2.0 pp -110.24 -175.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' N ' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -149.33 145.21 26.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.423 ' C ' ' OE1' ' A' ' 60' ' ' GLU . 19.5 mt -86.22 115.98 24.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 mt -69.54 161.97 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -151.62 158.62 43.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.15 -158.23 0.36 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.73 -175.15 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 1.7 t -34.66 140.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.1 p -168.79 155.33 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -85.03 84.26 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 p -62.13 94.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.53 -88.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -169.4 118.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.362 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -40.93 -62.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.67 177.82 45.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -128.13 144.37 51.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 132.34 23.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.32 154.71 44.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -126.06 133.17 51.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.6 105.2 7.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' TYR . 54.5 mtpt -59.36 -33.89 71.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -136.06 174.06 11.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.71 127.06 33.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -116.14 136.42 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -117.5 106.22 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.82 118.68 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -74.76 -36.91 62.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.1 p -131.63 162.13 31.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 tp -47.61 -48.33 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -38.35 -41.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -97.36 148.51 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 50' ' ' ARG . 5.1 tp -108.53 131.95 21.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 147.76 63.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.381 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 mt -145.21 159.49 42.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -132.16 150.4 52.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -48.23 108.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.4 41.15 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -107.24 123.04 47.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 mm -85.14 114.74 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.1 m -123.71 160.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -113.39 112.85 24.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.5 mt -84.85 110.43 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CD2' ' HA2' ' A' ' 45' ' ' GLY . 45.5 m-85 -77.94 -48.53 16.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HE2' ' CD ' ' A' ' 44' ' ' GLU . 34.7 pttt -134.11 179.49 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -119.72 113.38 20.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.9 mm -67.62 -55.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -143.64 -179.88 6.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -60.36 -32.64 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -117.63 23.9 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.433 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 90.1 m95 -139.45 157.05 46.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -146.24 173.98 11.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' CD ' ' HE2' ' A' ' 36' ' ' LYS . 8.6 tt0 -141.18 124.36 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.476 ' HA2' ' CD2' ' A' ' 35' ' ' TYR . . . -149.93 -154.26 6.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -137.81 142.96 40.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -153.03 127.84 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 57.13 33.2 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.55 30.9 59.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.434 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 16.3 ttt85 -133.73 124.32 26.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.812 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -100.97 125.32 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.99 -158.62 9.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 pt -125.24 159.43 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -160.17 152.63 17.45 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.433 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.79 142.08 46.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -71.1 -29.1 64.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -63.12 -14.35 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 13' ' ' LYS . 9.1 m-85 -95.96 -19.83 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.466 HD13 ' N ' ' A' ' 60' ' ' GLU . 2.0 pp -121.25 174.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' N ' HD13 ' A' ' 59' ' ' ILE . 14.1 pt-20 -144.23 113.68 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.78 123.87 12.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.05 93.68 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.3 p -110.5 143.65 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.03 146.06 8.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.8 -42.47 3.34 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.634 2.223 . . . . 0.0 112.352 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' PRO . 9.1 t -37.53 152.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -155.41 138.32 15.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.6 m -57.58 90.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' SER . 85.4 p -36.11 124.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.02 159.59 20.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -127.87 130.24 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.0 m -99.82 -54.34 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.32 165.97 25.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -99.88 143.9 27.35 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.619 0.723 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.1 15.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.43 145.74 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -116.85 138.83 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.32 110.77 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -69.73 -33.85 73.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -130.38 162.0 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.98 96.6 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -85.58 139.87 31.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.8 120.38 38.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.53 112.03 17.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.45 -37.98 89.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.7 p -147.23 -176.99 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -56.27 -39.87 73.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -47.22 -40.48 16.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -98.1 168.62 10.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 50' ' ' ARG . 11.7 tp -131.95 132.2 23.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.569 0.7 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 144.98 55.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.655 2.236 . . . . 0.0 112.386 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 54' ' ' PHE . 35.6 mt -143.51 104.97 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -74.68 141.65 44.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -47.84 111.31 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.39 38.24 6.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -111.21 125.55 53.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mm -83.29 119.47 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.0 m -124.22 163.78 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -117.0 114.55 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.508 HD11 ' CG ' ' A' ' 43' ' ' TYR . 67.5 mt -81.65 116.96 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -81.68 -38.02 26.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -152.07 163.04 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -102.74 113.72 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.0 mm -65.4 -61.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -134.86 175.85 9.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -60.81 -17.54 50.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -129.71 19.67 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -134.83 160.39 38.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 8.7 m-85 -143.04 179.46 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -155.93 119.48 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.27 -152.25 5.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -130.01 152.9 48.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 50' ' ' ARG . 38.4 t-80 -164.48 133.69 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 41.28 47.55 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.37 31.88 80.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.468 ' CG ' HD12 ' A' ' 24' ' ' LEU . 12.6 tpp85 -134.79 136.0 42.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.0 t -116.47 143.04 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.07 -158.1 18.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.7 pt -124.21 156.31 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.458 ' CB ' HD11 ' A' ' 26' ' ' LEU . 18.3 p90 -158.27 150.68 17.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.68 138.3 37.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.543 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 12.1 ttt180 -64.01 -40.12 95.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -18.43 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.9 m-85 -89.05 -27.88 20.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.413 HD12 ' C ' ' A' ' 59' ' ' ILE . 2.2 pp -116.44 -179.29 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.166 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -139.01 149.62 44.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.9 mt -92.74 108.82 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 mt -75.61 130.75 39.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.7 t -116.64 112.38 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.09 -159.72 10.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.77 3.25 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.292 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.3 p -45.8 171.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 m -46.7 130.1 11.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -143.46 116.61 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 m 52.49 43.45 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.98 105.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -48.94 109.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -100.99 87.84 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.93 178.08 33.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -121.49 143.57 38.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.12 24.84 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.87 146.3 30.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -114.94 130.06 56.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.31 106.31 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 58' ' ' TYR . 35.8 mtmt -66.41 -40.61 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -129.78 164.13 24.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.63 123.14 25.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -107.5 144.81 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -120.9 106.19 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -68.09 113.59 5.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -57.45 -43.63 84.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.0 p -145.07 174.05 11.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -43.88 -47.29 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -40.01 -44.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.64 163.3 13.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 8.3 tp -123.2 130.95 24.37 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 151.76 69.17 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.5 HD12 ' CG ' ' A' ' 54' ' ' PHE . 24.2 mt -144.81 151.96 39.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -119.34 153.17 35.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -57.68 97.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.6 37.82 2.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.67 124.77 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mm -83.64 131.72 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.29 163.19 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -115.52 114.58 25.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mt -84.18 110.83 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -76.88 -47.98 19.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HE3' ' CD ' ' A' ' 44' ' ' GLU . 11.8 pttp -138.59 169.22 18.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -104.49 114.83 29.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 mm -68.8 -54.77 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -144.94 176.98 9.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -58.52 -24.74 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -125.75 24.15 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 80.3 m95 -138.67 159.84 41.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.514 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 18.3 m-85 -146.55 168.77 20.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' CD ' ' HE3' ' A' ' 36' ' ' LYS . 20.6 tt0 -135.91 123.56 22.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.75 -161.51 10.03 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -124.54 159.49 30.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -163.31 117.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 51.76 41.53 29.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.08 33.9 61.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 21.8 ttm105 -139.43 123.43 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -106.02 141.49 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.68 -149.15 6.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.8 pt -134.09 148.89 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CG ' HD12 ' A' ' 26' ' ' LEU . 20.1 p90 -155.7 151.98 23.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.681 0.753 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.51 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.71 148.71 66.01 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.514 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 59.3 ttt180 -73.91 -45.06 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.0 t -47.7 -28.54 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.495 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.6 m-85 -77.07 -34.85 57.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.3 pp -107.09 178.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.149 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -143.53 114.45 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.45 121.32 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.55 133.96 36.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.5 t -162.74 156.31 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -166.02 -95.06 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 116.88 4.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 t -96.75 108.92 21.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.2 p -59.85 146.49 41.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -58.73 -62.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.855 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t -103.77 142.53 34.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.46 130.75 5.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -129.67 42.31 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -143.39 175.43 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.51 159.32 10.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -119.16 141.27 30.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.633 0.73 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 133.65 26.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.97 131.86 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -104.27 132.41 50.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.43 122.97 20.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -85.37 -39.21 17.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -128.26 156.47 42.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.9 136.56 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -120.45 166.43 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -143.37 106.82 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.428 ' HB2' ' N ' ' A' ' 25' ' ' PRO . . . -71.8 93.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -50.96 -38.57 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 p -136.36 -177.01 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tp -62.36 -47.89 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -40.08 -39.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -94.78 168.49 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.0 tp -131.48 131.71 23.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.428 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 53.3 Cg_endo -69.79 143.32 50.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.314 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.8 mt -135.77 158.5 44.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -123.4 143.07 50.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -52.01 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.76 41.9 2.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.455 ' OD1' ' CG1' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -112.15 133.89 54.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.842 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.8 mm -90.25 122.8 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' CG1' ' OD1' ' A' ' 30' ' ' ASP . 27.3 m -126.03 168.91 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -122.36 107.26 11.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.5 mt -77.71 109.49 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.44 ' CD2' ' HA2' ' A' ' 45' ' ' GLY . 52.0 m-85 -76.68 -48.85 17.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -132.9 176.58 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.557 ' HG3' ' CE1' ' A' ' 43' ' ' TYR . 50.1 tt0 -118.08 116.08 26.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 mm -72.54 -63.47 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -136.78 177.23 8.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -63.49 -17.91 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -127.89 20.61 6.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 87.6 m95 -140.87 159.67 41.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.557 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 27.3 m-85 -149.41 177.53 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -147.95 128.0 13.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.44 ' HA2' ' CD2' ' A' ' 35' ' ' TYR . . . -154.84 -152.06 6.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.508 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -126.92 148.43 50.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -162.89 124.7 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 49.63 54.18 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.72 24.21 32.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -128.16 135.67 50.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.02 147.59 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.65 -155.62 20.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.1 pt -125.9 160.22 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -160.36 149.74 14.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.727 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.77 139.41 40.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -64.72 -44.91 88.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.86 -18.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.511 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.0 m-85 -89.25 -33.29 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.9 pp -108.75 173.13 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -135.4 110.91 9.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.63 113.28 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.61 129.6 34.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.8 p -144.83 147.74 33.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.56 -94.43 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 103.17 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 t -68.87 -50.43 49.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.5 t -102.82 95.09 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t -72.08 83.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -79.12 146.91 32.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.46 -70.46 0.32 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 p -170.98 153.31 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m -102.41 130.61 49.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.8 163.65 4.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -106.12 143.85 27.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 142.26 47.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.0 132.69 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -102.01 132.82 47.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' CB ' ' OD2' ' A' ' 30' ' ' ASP . . . -71.62 119.43 15.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -74.48 -39.9 62.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -130.57 171.8 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.21 107.23 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 26' ' ' LEU . 83.7 t80 -88.6 146.11 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -114.29 118.82 34.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.81 112.22 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.66 -43.21 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.4 p -138.21 172.2 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.9 mt -49.07 -39.77 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.38 -44.02 16.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -96.98 146.24 25.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 50' ' ' ARG . 3.7 tp -107.99 130.95 22.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 138.22 37.28 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' PHE . 84.9 mt -132.43 141.45 48.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -111.56 151.49 28.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -59.65 113.14 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.65 30.03 6.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 12' ' ' ALA . 1.6 p30 -109.35 142.05 40.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 mm -108.05 115.67 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.91 168.16 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -118.23 115.1 24.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.9 mt -84.14 110.2 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -79.7 -45.08 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -142.43 169.99 16.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -112.14 113.04 25.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mm -62.35 -61.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -135.21 171.64 14.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -60.14 -12.54 8.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -129.69 18.63 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 82.2 m95 -142.13 161.81 37.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.551 ' CD2' ' HB3' ' A' ' 56' ' ' ARG . 6.9 m-85 -139.61 -177.94 5.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -150.56 122.69 8.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.13 -163.46 11.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -123.61 158.08 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.401 ' O ' ' N ' ' A' ' 50' ' ' ARG . 35.9 t-80 -162.73 124.82 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 43.91 45.08 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.77 24.33 77.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.453 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 18.4 ttm180 -128.27 116.77 20.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.9 t -103.81 124.04 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.95 -173.35 26.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.1 pt -107.58 150.64 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -156.22 154.21 26.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.406 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.2 Cg_endo -69.78 137.69 35.99 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.551 ' HB3' ' CD2' ' A' ' 43' ' ' TYR . 17.6 ptt180 -71.42 -27.25 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.32 -6.36 13.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -99.97 -29.8 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.3 pp -109.86 168.23 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.063 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 9.2 pt-20 -131.35 118.58 20.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.18 119.02 8.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 mt -72.36 140.95 48.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 p -83.75 108.94 17.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.48 -158.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 144.88 55.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 t -118.68 179.34 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 t -170.69 130.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -113.25 137.39 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.347 . . . . 0.0 110.886 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 m -148.43 175.54 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.69 -173.91 15.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.535 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -130.97 125.8 34.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 m -42.51 -64.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.45 177.31 7.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -114.56 143.07 29.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 144.95 55.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.63 135.49 11.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 11' ' ' ARG . 8.6 ttp-105 -104.5 132.93 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.14 111.93 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -73.14 -36.44 66.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -136.32 163.97 29.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -76.27 115.97 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -105.92 112.87 26.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -91.01 116.01 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.99 109.88 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -69.57 -28.74 66.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 p -141.2 154.23 45.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.0 mt -46.65 -34.8 5.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -49.67 -39.31 36.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -95.98 159.14 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 tp -116.63 130.94 24.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.717 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 142.55 48.09 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.502 HD13 ' CG ' ' A' ' 54' ' ' PHE . 91.9 mt -135.79 129.66 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -100.84 142.21 32.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -42.83 133.25 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.6 46.79 91.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 1.4 m-20 -111.96 131.11 55.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.834 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.6 mm -90.13 114.72 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.6 m -124.24 166.08 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -123.45 120.53 33.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.3 mt -86.69 114.58 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -83.73 -37.35 22.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.61 171.4 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -118.85 121.04 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 mm -73.74 -56.2 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.52 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -65.33 -6.05 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -131.13 12.72 5.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 91.3 m95 -137.89 167.15 22.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -149.82 173.69 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -144.3 125.75 14.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.25 -155.46 7.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -132.75 147.72 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.422 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 38.2 t-80 -160.06 123.54 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 58.36 53.47 6.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.71 31.96 58.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -133.35 164.02 28.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.9 t -141.33 143.25 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.55 -146.12 5.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 pt -137.01 156.77 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.502 ' CG ' HD13 ' A' ' 26' ' ' LEU . 7.0 p90 -160.0 153.3 18.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.67 0.747 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.521 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.76 142.72 48.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -74.31 -17.69 60.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -2.11 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.417 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.8 m-85 -107.91 -27.01 10.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.465 ' CD1' ' C ' ' A' ' 59' ' ' ILE . 1.8 pp -108.27 170.9 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' N ' HD12 ' A' ' 59' ' ' ILE . 12.0 tp10 -133.5 111.96 11.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.17 127.11 29.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.0 mt -89.54 45.23 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.6 p -88.27 38.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.01 169.0 12.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 172.47 12.52 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.729 2.286 . . . . 0.0 112.362 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.6 p -128.76 172.48 11.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.1 t -111.17 109.38 19.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -160.67 142.81 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -88.06 94.88 9.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.55 130.32 10.27 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -78.95 82.22 5.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -46.42 144.67 2.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.79 172.36 1.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.425 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.467 ' HD2' ' CD2' ' A' ' 61' ' ' LEU . 6.6 ptp85 -116.94 153.2 49.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.4 66.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.75 128.35 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -97.28 134.67 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.0 110.72 17.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 26.2 mmmt -66.42 -36.71 83.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.495 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 4.2 m-85 -140.92 145.35 35.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -63.56 111.55 2.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CE1' ' CD ' ' A' ' 55' ' ' PRO . 80.5 t80 -88.48 149.81 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -116.89 114.26 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB3' ' C ' ' A' ' 23' ' ' GLU . . . -83.14 112.2 19.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -65.6 -40.25 92.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.0 p -132.46 -175.42 3.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.38 -41.99 98.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 5.0 ttpm? -43.68 -42.14 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' C ' ' HB3' ' A' ' 18' ' ' ALA . 11.7 mt-10 -95.65 160.84 14.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tp -125.36 132.74 24.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.631 0.729 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 141.9 46.71 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.8 mt -129.13 159.55 35.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -131.59 137.98 48.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -49.16 113.56 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.71 36.41 6.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.498 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 1.1 m-20 -111.29 132.39 54.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.328 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.36 102.19 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.5 m -106.02 157.55 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -108.97 107.31 17.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mt -73.96 110.34 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -76.57 -48.83 18.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -145.17 178.79 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -112.56 130.75 55.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.7 mm -88.85 -46.27 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -152.08 177.38 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -65.08 -12.89 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -131.87 14.6 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -140.97 147.69 39.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -135.34 179.05 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -139.77 136.66 34.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.49 -156.06 8.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -133.18 150.33 52.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.447 ' NE2' ' OD2' ' A' ' 30' ' ' ASP . 44.2 t-80 -163.83 125.88 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 55.71 50.69 13.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.09 36.73 68.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -137.91 148.48 45.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.96 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.05 -171.47 40.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 pt -110.15 162.64 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -160.2 151.34 15.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.75 138.54 38.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -38.98 92.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -15.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.2 m-85 -92.38 -30.25 15.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.2 pp -108.64 178.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -143.83 116.82 8.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 38.3 mt -62.48 106.66 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.35 -48.75 60.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.3 p -54.56 137.23 43.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.07 83.37 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 139.93 41.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.351 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -46.58 132.66 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 p 41.75 46.93 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -106.38 143.71 27.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.627 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.3 Cg_endo -69.82 127.97 15.31 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.53 143.83 28.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -109.8 135.61 50.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -73.55 108.74 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -69.23 -31.29 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -144.71 154.49 42.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.13 144.0 56.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -133.04 130.77 39.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -100.33 112.31 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.401 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -81.55 110.5 16.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.29 -45.41 80.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.4 p -129.04 178.76 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.8 mt -56.93 -49.47 75.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' LEU . 6.7 ttpm? -37.54 -43.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -97.38 155.07 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.77 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.6 tp -122.99 138.54 29.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.77 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.73 157.89 58.9 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.317 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.448 ' CD2' HG11 ' A' ' 32' ' ' VAL . 87.9 mt -150.39 159.81 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.665 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 22.9 mt-30 -133.73 143.93 48.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.34 94.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.71 -25.65 5.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.1 138.64 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.783 0.325 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.466 HD12 HD11 ' A' ' 62' ' ' LEU . 18.5 mm -96.64 148.41 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.587 HG12 ' HB2' ' A' ' 47' ' ' HIS . 30.0 m -141.91 167.04 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -121.12 109.99 15.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -80.05 113.79 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.205 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -80.51 -41.54 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -146.58 171.5 14.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -110.38 119.76 40.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mm -67.2 -61.57 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -137.4 -175.54 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -66.78 -18.05 65.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -128.19 20.68 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -138.9 164.13 30.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 14.3 m-85 -145.84 174.36 11.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -143.8 129.75 19.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 51' ' ' VAL . . . -158.34 -152.33 6.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -143.09 149.67 38.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.604 ' HB3' HD21 ' A' ' 24' ' ' LEU . 11.6 t-80 -163.04 118.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 65.6 54.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.33 32.89 45.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 28.1 ttt85 -137.39 139.48 40.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 45' ' ' GLY . 11.7 t -122.07 136.63 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.48 -153.89 8.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.7 pt -130.67 152.63 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 111.165 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -156.46 156.12 29.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.465 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.73 150.7 68.74 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 42.8 ptt85 -77.51 -18.95 56.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.451 HG22 ' H ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -75.13 -5.76 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.465 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.3 m-85 -103.65 -27.64 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.638 HD12 ' C ' ' A' ' 59' ' ' ILE . 1.9 pp -109.65 171.98 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' N ' HD12 ' A' ' 59' ' ' ILE . 14.7 tt0 -139.39 109.74 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.4 mt -56.62 106.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 9' ' ' PRO . 91.6 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -106.88 144.01 28.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.717 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 125.07 11.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.596 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -139.27 140.34 37.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HB2' HD11 ' A' ' 62' ' ' LEU . 33.9 ttp180 -107.59 140.64 40.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -81.19 115.0 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -76.46 -37.38 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -133.06 163.67 28.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.19 130.16 39.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -121.44 120.07 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -96.95 116.78 29.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.03 110.92 17.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.519 ' HG3' HG23 ' A' ' 20' ' ' THR . 7.2 pt20 -62.07 -44.8 95.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.519 HG23 ' HG3' ' A' ' 19' ' ' GLN . 9.3 p -137.54 175.97 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.4 tp -50.11 -50.97 46.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 21' ' ' LEU . 26.7 tttt -34.24 -44.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -100.83 159.56 15.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.804 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.1 tp -125.07 138.38 31.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.711 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.804 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.77 154.25 67.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.574 ' CD2' HG11 ' A' ' 32' ' ' VAL . 54.1 mt -148.13 113.29 5.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 6.8 tt0 -82.68 142.86 31.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -54.34 104.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.9 37.39 3.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.75 141.37 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.9 mm -94.81 118.08 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.574 HG11 ' CD2' ' A' ' 26' ' ' LEU . 35.2 m -122.37 156.03 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -113.67 115.6 28.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.418 HG21 ' CD1' ' A' ' 43' ' ' TYR . 20.8 mt -88.74 120.1 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -88.46 -41.97 12.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -136.54 169.34 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -115.15 103.39 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.427 HG22 ' OD1' ' A' ' 39' ' ' ASP . 36.3 mm -53.6 -67.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' HG22 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -134.23 -178.93 5.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -65.38 -16.69 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -127.72 21.09 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.486 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 83.2 m95 -142.36 161.57 37.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 17.8 m-85 -146.91 171.95 14.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.561 ' OE1' HG22 ' A' ' 53' ' ' ILE . 16.3 tp10 -140.77 126.91 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.9 -157.43 8.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -134.66 139.41 45.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.629 ' HB3' HD11 ' A' ' 24' ' ' LEU . 40.0 t-80 -140.24 116.04 10.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 51.0 53.81 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.67 36.52 92.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -137.95 115.91 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.4 t -97.37 126.55 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.71 168.57 39.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.561 HG22 ' OE1' ' A' ' 44' ' ' GLU . 9.6 pt -98.49 151.18 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CG ' HD11 ' A' ' 26' ' ' LEU . 12.5 p90 -154.74 154.86 29.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.69 148.3 65.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.433 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 46.9 ttp180 -76.0 -35.96 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.78 -11.21 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 14.5 m-85 -95.64 -29.97 14.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.596 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.2 pp -110.58 172.3 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 59' ' ' ILE . 11.9 tp10 -134.08 117.72 16.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.82 110.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 11' ' ' ARG . 26.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.51 143.27 26.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.723 . . . . 0.0 110.85 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 150.97 68.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.293 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.674 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -161.6 141.34 10.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -108.52 133.04 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.442 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -78.13 116.3 18.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -73.2 -45.6 55.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -120.78 179.88 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -90.51 133.26 35.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -125.8 128.26 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.08 130.99 47.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.57 111.61 23.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.24 -45.79 75.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.0 p -133.2 177.72 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 22' ' ' LYS . 36.2 mt -51.91 -48.93 63.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 21' ' ' LEU . 23.2 ttpt -36.8 -46.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -95.39 164.74 12.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.594 HD12 ' HD2' ' A' ' 25' ' ' PRO . 5.2 tp -134.25 136.17 25.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.594 ' HD2' HD12 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.74 143.84 52.23 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.634 HD11 ' CG ' ' A' ' 54' ' ' PHE . 60.0 mt -143.8 105.03 4.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.59 144.33 35.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -48.38 104.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.02 39.53 3.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.442 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 6.1 m-20 -110.24 133.5 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.5 mm -95.64 119.82 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.664 HG12 ' HB2' ' A' ' 47' ' ' HIS . 29.5 m -125.75 167.92 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -118.8 110.67 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.3 mt -76.52 111.57 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.186 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -83.34 -47.71 11.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.58 174.14 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -116.03 107.57 15.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.0 mm -61.53 -59.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -138.72 -177.09 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -69.43 -14.06 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -130.74 19.09 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 86.0 m95 -136.99 167.74 20.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 10.0 m-85 -151.49 168.93 23.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -139.0 124.51 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.59 -161.27 10.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' OE1' ' C ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -125.34 153.42 43.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.374 . . . . 0.0 110.842 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.664 ' HB2' HG12 ' A' ' 32' ' ' VAL . 39.4 t-80 -164.66 130.55 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 45.91 48.85 12.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.37 30.07 73.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.594 ' HG2' HD12 ' A' ' 24' ' ' LEU . 7.3 tpp85 -131.1 141.82 50.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.2 t -122.76 137.71 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.22 -165.92 33.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.6 pt -113.49 158.56 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.634 ' CG ' HD11 ' A' ' 26' ' ' LEU . 26.4 p90 -162.89 148.93 10.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.77 143.05 49.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 18.4 ttt180 -70.34 -43.0 71.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -49.34 -25.45 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.7 m-85 -80.02 -33.38 39.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.674 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.9 pp -107.2 174.72 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.534 ' N ' HD12 ' A' ' 59' ' ' ILE . 17.3 tp10 -141.31 115.11 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.4 138.68 56.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -115.44 143.56 30.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 123.8 10.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.625 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -133.1 139.09 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.074 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HB2' HD11 ' A' ' 62' ' ' LEU . 59.6 ttt180 -111.84 132.8 54.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 119.11 14.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -79.43 -37.69 36.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -133.82 174.06 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -81.14 126.6 31.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -119.67 123.01 42.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -99.45 101.06 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.438 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -54.45 109.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -55.21 -45.69 75.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.9 p -143.31 173.43 11.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.5 tp -45.78 -44.33 13.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -42.51 -45.63 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -95.87 161.47 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.779 HD21 ' HB3' ' A' ' 47' ' ' HIS . 6.9 tp -121.52 135.9 25.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.644 0.735 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.599 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.82 148.6 65.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.69 2.26 . . . . 0.0 112.298 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.481 HD11 ' CG ' ' A' ' 54' ' ' PHE . 17.8 mt -140.38 139.03 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -108.74 142.37 39.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -49.38 107.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.6 39.17 4.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -110.79 137.52 48.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.7 mm -93.14 132.24 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.506 HG23 ' HB3' ' A' ' 10' ' ' ALA . 22.1 m -141.34 163.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -118.9 110.98 17.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -79.84 110.04 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.402 ' OH ' ' CB ' ' A' ' 46' ' ' GLU . 24.7 m-85 -77.6 -40.47 42.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -146.6 177.58 8.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -117.76 110.6 18.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mm -59.45 -60.07 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -136.25 -176.54 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -18.43 65.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -128.74 25.25 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 79.9 m95 -139.61 167.68 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 14.9 m-85 -153.92 161.11 42.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -131.62 126.16 34.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.57 -161.15 10.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' CB ' ' OH ' ' A' ' 35' ' ' TYR . 26.5 tt0 -125.49 152.1 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.779 ' HB3' HD21 ' A' ' 24' ' ' LEU . 58.1 t-80 -158.68 127.33 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 50.68 34.81 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.07 17.54 78.14 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.459 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 16.1 ttm180 -124.12 121.44 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.12 130.93 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.79 -166.5 21.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 pt -117.21 155.93 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.481 ' CG ' HD11 ' A' ' 26' ' ' LEU . 10.9 p90 -161.54 153.78 16.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.659 0.742 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.8 144.82 55.05 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.547 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 24.5 ttp85 -73.19 -30.14 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -63.37 -7.5 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.483 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 13.0 m-85 -103.14 -27.6 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.747 HD12 ' N ' ' A' ' 60' ' ' GLU . 1.8 pp -107.65 -178.45 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.747 ' N ' HD12 ' A' ' 59' ' ' ILE . 15.7 tt0 -151.47 113.04 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.5 mt -53.78 130.66 37.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 11' ' ' ARG . 55.0 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -125.8 143.92 46.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.11 11.75 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.295 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -135.42 146.77 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -120.1 133.06 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.54 116.11 19.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 2.0 mmmm -73.39 -35.07 65.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 4.3 m-85 -134.0 171.93 13.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.2 135.01 35.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -129.23 133.41 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -105.12 119.53 39.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -79.56 102.11 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.57 -42.79 64.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.2 p -145.66 175.33 10.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.22 -46.6 9.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -39.38 -49.08 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -94.75 163.93 13.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.603 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.7 tp -127.68 134.83 26.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 135.84 31.5 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.392 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.529 HD11 ' CG ' ' A' ' 54' ' ' PHE . 38.3 mt -132.05 133.49 44.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -105.48 141.93 36.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -46.36 118.73 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.89 41.61 12.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.401 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -111.32 137.18 49.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.0 mm -93.53 122.03 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 10' ' ' ALA . 17.2 m -126.14 161.37 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -117.01 109.32 16.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.3 mt -77.01 116.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -82.96 -42.82 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -141.68 179.08 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -119.75 105.24 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mm -60.41 -56.14 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -138.44 -179.0 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.61 -23.07 66.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -123.76 14.53 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.411 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 84.3 m95 -129.42 157.44 41.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -144.3 175.11 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -147.88 122.07 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.87 -150.98 5.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.498 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -132.02 148.8 52.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.603 ' CB ' HD21 ' A' ' 24' ' ' LEU . 16.4 t-80 -158.7 117.56 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 59.65 42.79 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.7 30.32 76.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.473 ' HB3' HD11 ' A' ' 24' ' ' LEU . 21.7 ttt180 -134.04 138.62 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.85 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.4 t -114.03 143.35 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.62 -161.66 25.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.1 pt -123.42 152.67 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CG ' HD11 ' A' ' 26' ' ' LEU . 12.1 p90 -153.42 148.55 19.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.748 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.55 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.3 Cg_endo -69.77 139.42 40.16 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -64.39 -42.25 96.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -18.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.55 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 8.9 m-85 -89.25 -32.64 17.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.645 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.3 pp -109.95 -175.27 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.645 ' N ' HD12 ' A' ' 59' ' ' ILE . 19.6 pt-20 -145.55 133.24 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.0 mt -75.35 97.78 3.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -128.53 143.61 48.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.656 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.7 144.28 53.81 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.607 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -158.7 134.09 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CZ ' ' HA2' ' A' ' 29' ' ' GLY . 12.4 ttt-85 -101.69 129.59 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 59' ' ' ILE . . . -74.07 112.26 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -71.53 -35.06 70.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -129.44 173.11 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.63 109.11 20.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.654 ' CE2' ' CD ' ' A' ' 55' ' ' PRO . 43.5 t80 -90.45 142.19 27.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -116.26 117.73 30.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -86.53 109.1 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -66.69 -41.57 87.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.7 p -134.06 168.06 19.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.6 tt -47.44 -48.5 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -37.56 -40.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -101.58 157.83 16.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.773 HD12 ' HD2' ' A' ' 25' ' ' PRO . 8.8 tp -121.48 134.66 24.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.773 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.76 152.4 69.3 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.666 HD11 ' CB ' ' A' ' 54' ' ' PHE . 8.4 mt -145.02 128.82 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -97.46 143.31 28.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -53.27 111.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' A' ' 11' ' ' ARG . . . 92.92 37.33 5.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 1.7 m-20 -112.01 128.08 56.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.0 mm -87.88 111.93 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 m -114.07 166.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.183 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -119.47 110.48 16.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.478 HG21 ' CD1' ' A' ' 43' ' ' TYR . 28.5 mt -78.95 111.74 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -76.27 -47.36 24.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -146.29 162.9 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 37.7 tt0 -97.38 125.54 42.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.8 mm -79.05 -61.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -134.25 -179.27 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -64.0 -18.68 64.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -130.65 22.47 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -138.04 161.68 36.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 12.7 m-85 -144.64 -179.93 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -146.42 125.02 12.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.72 -167.07 17.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 1.6 tm-20 -120.23 151.22 39.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.452 ' CB ' HD21 ' A' ' 24' ' ' LEU . 22.2 t-80 -161.98 128.28 3.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 24.8 t-80 50.32 53.78 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.51 34.25 59.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.473 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -136.61 158.78 43.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.69 144.84 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.57 -165.42 35.7 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.7 pt -116.01 155.95 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.666 ' CB ' HD11 ' A' ' 26' ' ' LEU . 15.2 p90 -157.82 150.75 18.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.654 ' CD ' ' CE2' ' A' ' 16' ' ' PHE . 53.8 Cg_endo -69.76 133.56 25.88 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.534 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 5.3 ptm180 -61.69 -42.37 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.1 p -48.43 -23.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 8.6 m-85 -81.51 -30.96 33.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.607 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.4 pp -109.99 -176.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.576 ' N ' HD12 ' A' ' 59' ' ' ILE . 5.4 tp10 -147.12 114.38 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.76 120.83 10.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.656 HD12 ' HB2' ' A' ' 9' ' ' PRO . 44.3 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -116.62 143.42 31.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.79 128.22 15.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.836 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -137.28 142.71 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -115.82 132.87 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.9 118.53 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -77.23 -33.6 56.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -127.74 175.73 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.66 99.66 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CE1' ' CD ' ' A' ' 55' ' ' PRO . 74.5 t80 -87.55 134.95 33.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.93 120.74 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 23' ' ' GLU . . . -84.88 105.44 15.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -63.41 -39.76 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.2 p -135.19 168.79 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' LYS . 34.8 tp -49.5 -49.15 46.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LEU . 14.5 mmmt -37.6 -41.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.423 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 12.7 mt-10 -99.27 149.73 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.766 HD21 ' CB ' ' A' ' 47' ' ' HIS . 14.9 tp -112.45 133.92 21.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.721 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.79 144.81 55.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.598 HD11 ' CG ' ' A' ' 54' ' ' PHE . 28.1 mt -140.29 128.3 22.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -98.24 144.77 27.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -50.08 107.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.43 34.04 6.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.466 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 5.6 m-20 -106.57 137.91 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.666 HD12 HD11 ' A' ' 62' ' ' LEU . 50.2 mm -95.88 130.56 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.56 164.96 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -117.52 114.74 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.9 mt -84.1 108.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -78.65 -45.84 20.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -135.65 174.03 11.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -118.91 113.71 21.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.417 HG13 ' CG2' ' A' ' 53' ' ' ILE . 19.9 mm -67.32 -65.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -130.46 -179.52 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.418 ' NE2' ' OD1' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -65.42 -19.68 66.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.418 ' OD1' ' NE2' ' A' ' 40' ' ' GLN . 22.4 m-20 -124.81 20.07 8.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.541 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 91.4 m95 -138.92 163.68 31.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 21.5 m-85 -147.46 -178.55 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -147.29 127.08 13.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.04 -156.55 8.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.447 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -126.08 153.05 45.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.766 ' CB ' HD21 ' A' ' 24' ' ' LEU . 12.0 t-80 -164.55 124.24 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 23.7 t-160 60.03 42.25 16.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.75 33.14 86.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -134.95 172.52 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.2 t -140.56 142.1 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.83 -171.51 44.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.417 ' CG2' HG13 ' A' ' 38' ' ' ILE . 19.9 pt -113.56 155.28 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CG ' HD11 ' A' ' 26' ' ' LEU . 2.6 p90 -154.07 155.2 30.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.541 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.4 Cg_endo -69.76 135.75 31.26 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.527 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 27.9 ttt85 -66.73 -41.86 87.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.576 HG23 ' HD1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -52.94 -17.48 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.169 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.576 ' HD1' HG23 ' A' ' 57' ' ' THR . 7.6 m-85 -88.26 -32.71 18.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.836 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.8 pp -111.63 178.8 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.688 ' N ' HD12 ' A' ' 59' ' ' ILE . 17.6 pt-20 -146.86 129.32 15.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.31 112.73 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.666 HD11 HD12 ' A' ' 31' ' ' ILE . 69.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -123.37 144.18 43.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.702 ' HB2' HD12 ' A' ' 62' ' ' LEU . 54.0 Cg_endo -69.76 128.5 16.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -141.05 132.83 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -103.45 143.63 32.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -86.69 106.39 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -65.57 -35.14 79.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -133.3 172.41 12.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -83.99 130.6 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -116.61 142.55 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -116.01 119.76 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.11 111.74 23.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.047 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -68.34 -39.58 81.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -141.12 175.27 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 22' ' ' LYS . 13.6 tp -48.23 -49.42 33.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 21' ' ' LEU . 5.6 tmtm? -35.0 -49.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -98.03 155.91 16.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.87 HD12 ' HD2' ' A' ' 25' ' ' PRO . 10.6 tp -119.1 133.36 23.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.87 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.3 Cg_endo -69.79 135.7 31.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.641 2.227 . . . . 0.0 112.318 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' A' ' 54' ' ' PHE . 35.5 mt -128.08 155.98 43.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 30.2 mt-30 -131.36 144.79 51.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -52.88 114.08 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.84 28.89 17.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.439 ' CG ' ' HB2' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -103.89 124.0 48.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.4 mm -84.25 122.33 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.497 HG23 ' HB3' ' A' ' 10' ' ' ALA . 35.4 m -125.49 161.59 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -115.5 112.64 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.526 HG21 ' CD1' ' A' ' 43' ' ' TYR . 16.5 mt -86.79 121.14 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -87.72 -43.85 11.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.675 ' HE3' HD13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -145.97 162.53 37.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -98.41 115.74 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.675 HD13 ' HE3' ' A' ' 36' ' ' LYS . 5.1 mm -65.18 -64.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -128.97 -178.09 4.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -67.16 -15.54 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -132.89 23.65 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.438 ' CE3' HD12 ' A' ' 53' ' ' ILE . 65.7 m95 -140.51 168.73 19.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.526 ' CD1' HG21 ' A' ' 34' ' ' ILE . 20.8 m-85 -148.38 175.39 11.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -143.63 122.42 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.33 -162.21 11.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 40.1 tt0 -123.2 158.74 30.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.436 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 55.0 t-80 -163.01 110.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.402 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 12.1 t-80 58.06 44.69 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.86 28.58 70.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -133.83 124.53 26.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.7 t -108.74 134.0 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.22 -154.43 8.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.438 HD12 ' CE3' ' A' ' 42' ' ' TRP . 10.9 pt -128.27 161.09 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.474 ' CG ' HD11 ' A' ' 26' ' ' LEU . 9.6 p90 -164.88 149.77 8.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.77 137.12 34.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 6.4 tmm_? -59.36 -48.29 82.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.5 p -44.92 -30.79 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.2 m-85 -74.74 -36.8 62.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.5 pp -108.2 -175.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.555 ' N ' HD12 ' A' ' 59' ' ' ILE . 14.4 pt-20 -150.16 127.27 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.29 117.33 9.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.702 HD12 ' HB2' ' A' ' 9' ' ' PRO . 20.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -108.94 144.16 29.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.58 17.84 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.25 148.95 33.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.497 ' HB2' HD11 ' A' ' 62' ' ' LEU . 54.2 ttp180 -117.79 130.17 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -76.31 110.5 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.47 -38.81 92.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.439 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -131.11 163.64 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.45 105.8 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -90.84 139.55 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -107.9 128.11 54.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.34 128.24 42.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -85.7 -33.64 21.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -140.81 174.8 10.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 mp -51.64 -46.95 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ILE . 11.7 tppt? -41.13 -43.27 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -96.89 157.88 15.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.826 HD12 ' HD2' ' A' ' 25' ' ' PRO . 13.5 tp -126.28 132.91 24.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.826 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.78 133.18 24.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 54' ' ' PHE . 40.0 mt -125.99 152.96 45.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.523 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 41.7 mm-40 -123.94 158.99 30.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -62.54 109.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.1 43.97 5.19 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.35 133.45 54.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.6 mm -94.98 114.46 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.93 165.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -118.7 110.47 17.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.7 mt -78.79 112.34 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -78.21 -42.13 32.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -145.83 175.64 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -117.9 118.33 31.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.9 mm -71.9 -60.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -131.08 177.3 7.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -66.23 -13.68 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -129.03 12.31 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.437 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 78.7 m95 -130.07 162.23 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 19.3 m-85 -147.08 175.96 10.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -149.38 129.15 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.8 -145.61 4.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -140.34 148.42 41.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.471 ' CB ' HD21 ' A' ' 24' ' ' LEU . 49.5 t-80 -161.9 126.6 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.7 m170 54.35 42.85 31.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.28 32.07 82.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.46 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 22.2 ttm-85 -134.6 134.86 41.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.0 t -114.7 133.43 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.68 -155.95 9.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' LYS . 11.0 pt -128.18 156.7 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 111.148 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.532 ' CG ' HD11 ' A' ' 26' ' ' LEU . 7.2 p90 -157.87 153.84 23.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.543 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.78 144.65 54.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 2.8 tpt180 -69.61 -44.99 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -19.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.8 m-85 -86.63 -30.64 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.499 HD12 ' C ' ' A' ' 59' ' ' ILE . 2.3 pp -112.05 171.63 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' OE2' ' NH2' ' A' ' 11' ' ' ARG . 8.0 pt-20 -135.23 118.31 16.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.57 108.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 11' ' ' ARG . 17.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -121.6 143.21 37.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.4 19.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.634 2.223 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.571 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -142.9 131.74 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -101.4 130.86 47.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.83 112.55 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -72.98 -37.87 66.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -132.01 165.13 24.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.93 105.38 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -89.95 146.11 24.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -119.19 124.7 47.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.17 114.36 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.23 -43.98 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.7 p -127.1 179.11 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 mp -58.04 -47.7 82.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -38.96 -42.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -97.05 153.34 17.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.761 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.5 tp -121.36 133.27 24.16 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 142.94 49.21 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.8 mt -134.2 124.17 25.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -91.11 144.22 25.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -50.42 104.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.08 44.84 3.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.499 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -111.09 134.92 52.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.1 mm -93.39 114.86 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.1 m -123.57 162.58 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -116.49 110.7 18.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.57 HG21 ' CD1' ' A' ' 43' ' ' TYR . 24.6 mt -81.69 113.26 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -80.15 -45.3 18.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -141.72 170.31 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -112.46 114.66 27.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.443 HG13 ' CG2' ' A' ' 53' ' ' ILE . 30.4 mm -62.8 -65.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -130.18 174.88 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 29.7 tp60 -61.61 -13.26 20.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -129.34 13.21 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -134.7 164.23 27.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CD1' HG21 ' A' ' 34' ' ' ILE . 12.4 m-85 -143.65 -178.79 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -150.92 123.58 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.97 -157.21 7.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HB2' HG22 ' A' ' 51' ' ' VAL . 20.5 tt0 -128.12 156.53 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.761 ' CB ' HD21 ' A' ' 24' ' ' LEU . 23.4 t-80 -163.55 122.16 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t60 51.09 42.82 29.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.85 22.5 78.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.403 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 19.5 ttm180 -128.93 120.04 25.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' A' ' 46' ' ' GLU . 75.2 t -101.5 126.96 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.9 179.93 35.12 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.443 ' CG2' HG13 ' A' ' 38' ' ' ILE . 22.7 pt -101.8 159.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.165 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -165.18 155.16 11.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.58 42.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.524 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 31.1 ptt180 -70.34 -40.58 74.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.436 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 14.9 t -51.19 -24.85 4.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -79.99 -31.03 39.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.571 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.3 pp -109.64 176.82 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 59' ' ' ILE . 11.7 tt0 -146.04 110.8 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.1 mt -54.4 118.55 4.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.8 mtm-85 -111.99 143.05 27.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 122.66 9.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.288 . . . . 0.0 112.311 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -143.42 147.11 34.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -115.29 137.06 52.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.33 111.33 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 58' ' ' TYR . 14.8 mmmt -68.95 -31.77 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -136.46 166.57 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -81.73 113.12 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 17' ' ' LYS . 26.7 t80 -102.04 150.32 23.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 21.9 pttp -124.65 122.53 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -91.25 114.9 27.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.78 -34.3 66.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 p -140.05 174.49 10.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 mp -50.86 -47.08 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -39.14 -42.84 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -100.26 159.46 15.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.681 HD12 ' HD2' ' A' ' 25' ' ' PRO . 4.9 tp -124.71 133.01 24.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.609 0.718 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.681 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.76 133.74 26.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.342 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.603 ' CD2' HG11 ' A' ' 32' ' ' VAL . 76.9 mt -133.18 143.42 49.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -114.41 143.13 45.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -55.12 119.38 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.66 -26.91 22.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.77 151.92 37.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.621 HD12 HD11 ' A' ' 62' ' ' LEU . 7.3 mm -112.8 138.0 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.603 HG11 ' CD2' ' A' ' 26' ' ' LEU . 3.9 m -132.7 172.0 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -121.45 114.71 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.1 mt -84.2 115.17 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -82.92 -46.05 13.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -137.53 177.69 7.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -119.18 103.62 9.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.66 -67.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -128.99 -179.02 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.438 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 58.7 mt-30 -65.0 -13.66 58.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -131.64 15.21 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 78.1 m95 -132.18 158.08 42.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 56' ' ' ARG . 12.7 m-85 -140.13 178.79 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -146.46 124.19 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.71 -172.88 20.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -124.54 145.92 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -161.0 125.53 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 59.77 44.05 14.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.5 21.35 64.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.497 ' HG2' HD12 ' A' ' 24' ' ' LEU . 9.6 tpt180 -123.35 143.09 50.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.3 t -127.11 142.75 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.92 -155.95 14.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.5 pt -128.19 150.39 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CG ' HD11 ' A' ' 26' ' ' LEU . 4.8 p90 -152.97 152.82 28.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.746 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.76 128.51 16.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HB3' ' CD2' ' A' ' 43' ' ' TYR . 26.7 ptt180 -57.4 -19.04 20.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 p -71.03 -22.54 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.516 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.4 m-85 -88.25 -22.71 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.2 pp -117.56 175.68 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' HD12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -143.97 137.9 28.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.7 mt -79.25 104.08 9.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.621 HD11 HD12 ' A' ' 31' ' ' ILE . 8.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -108.53 143.88 28.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.564 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.9 Cg_endo -69.75 141.53 45.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.832 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -149.84 129.67 13.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -98.37 124.73 43.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -70.82 113.82 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -69.92 -33.41 72.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -140.1 155.63 46.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -67.14 128.32 35.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -110.91 140.87 45.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -115.33 115.17 26.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -84.37 113.14 20.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -69.13 -37.48 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -137.56 177.58 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 tp -55.43 -44.58 76.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.04 -44.55 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -95.54 163.2 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.766 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.6 tp -125.87 132.43 24.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.672 0.749 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.63 63.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.362 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mt -147.06 165.58 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 48.5 mt-30 -134.33 155.56 50.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -57.03 101.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.88 44.23 2.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.11 137.0 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 mm -94.01 118.29 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 m -125.6 158.08 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -113.73 112.3 23.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.422 HG21 ' CD1' ' A' ' 43' ' ' TYR . 13.8 mt -84.64 117.07 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -85.32 -41.07 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -140.97 174.24 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -115.88 107.9 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.404 HG13 ' CG2' ' A' ' 53' ' ' ILE . 25.7 mm -58.09 -60.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -139.65 176.08 9.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -63.58 -11.66 26.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -131.47 19.94 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.476 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 88.3 m95 -142.54 170.18 16.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 22.4 m-85 -152.14 176.78 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -144.54 124.06 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.18 -162.49 11.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -124.31 151.33 44.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.766 ' CB ' HD21 ' A' ' 24' ' ' LEU . 52.0 t-80 -157.08 108.3 2.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 61.39 54.02 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.03 26.18 65.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HB3' HD11 ' A' ' 24' ' ' LEU . 19.2 ttm-85 -130.83 123.81 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.843 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.0 t -106.86 134.34 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.87 -169.78 34.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.404 ' CG2' HG13 ' A' ' 38' ' ' ILE . 8.4 pt -109.19 162.66 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -165.49 151.93 8.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.492 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.77 140.44 42.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -69.71 -42.13 74.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -51.36 -20.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.492 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.9 m-85 -85.52 -32.39 22.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.832 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.9 pp -110.58 175.01 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.566 ' N ' HD12 ' A' ' 59' ' ' ILE . 6.3 tp10 -138.08 119.79 15.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mt -67.9 130.86 44.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 9' ' ' PRO . 50.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 34' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -117.11 143.65 32.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.523 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.9 Cg_endo -69.73 123.17 9.85 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.691 2.26 . . . . 0.0 112.363 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.637 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -137.51 146.51 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.046 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -113.74 132.71 55.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -79.61 112.2 16.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 10.5 mmmt -69.27 -35.63 76.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 6.3 m-85 -133.59 170.69 15.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.75 115.46 23.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -92.56 155.66 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -124.38 107.51 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.66 117.86 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -69.22 -42.0 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.2 p -142.69 171.72 13.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' LYS . 14.0 mt -42.59 -47.41 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LEU . 7.0 tmtm? -37.93 -48.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -96.21 158.15 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.982 HD12 ' HD2' ' A' ' 25' ' ' PRO . 8.5 tp -121.52 131.82 24.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.596 0.713 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.982 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.84 140.41 42.33 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.49 HD13 ' CG2' ' A' ' 59' ' ' ILE . 84.1 mt -125.43 163.98 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 37.9 mt-30 -140.28 142.18 35.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -47.73 117.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.89 36.0 17.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.474 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 2.8 m-20 -106.67 128.17 53.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.836 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 mm -95.14 114.71 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.74 163.93 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -115.15 108.29 16.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.519 HG23 ' H ' ' A' ' 44' ' ' GLU . 54.4 mt -78.6 117.14 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -83.02 -44.3 15.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -144.57 145.67 31.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -89.79 113.82 25.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mm -62.78 -60.31 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -138.39 173.73 11.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -56.86 -18.06 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -129.72 24.33 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 86.2 m95 -143.46 155.16 44.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.441 ' CG ' HD13 ' A' ' 34' ' ' ILE . 33.3 m-85 -140.7 -179.91 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.519 ' H ' HG23 ' A' ' 34' ' ' ILE . 12.1 tt0 -153.9 119.2 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.28 -146.9 4.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -139.52 141.39 37.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.771 ' HB3' HD11 ' A' ' 24' ' ' LEU . 58.9 t60 -148.83 132.64 16.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 42.82 48.42 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.85 34.56 90.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.413 ' O ' HD13 ' A' ' 24' ' ' LEU . 34.9 ttt180 -137.32 118.97 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.44 132.06 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.58 -172.0 37.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 pt -109.77 161.83 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -162.92 152.44 12.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.6 Cg_endo -69.76 143.03 49.55 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.659 2.24 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -69.67 -43.79 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -47.32 -24.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 12.0 m-85 -82.56 -34.81 27.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.0 pp -110.24 -175.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.739 ' N ' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -149.33 145.21 26.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.423 ' C ' ' OE1' ' A' ' 60' ' ' GLU . 19.5 mt -86.22 115.98 24.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 9' ' ' PRO . 38.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -128.13 144.37 51.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 132.34 23.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.489 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -143.32 154.71 44.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -126.06 133.17 51.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.6 105.2 7.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' TYR . 54.5 mtpt -59.36 -33.89 71.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -136.06 174.06 11.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.71 127.06 33.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -116.14 136.42 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -117.5 106.22 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.82 118.68 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -74.76 -36.91 62.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.1 p -131.63 162.13 31.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 tp -47.61 -48.33 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -38.35 -41.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -97.36 148.51 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.1 tp -108.53 131.95 21.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 147.76 63.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.381 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' A' ' 32' ' ' VAL . 16.2 mt -145.21 159.49 42.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -132.16 150.4 52.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -48.23 108.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.4 41.15 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -107.24 123.04 47.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 mm -85.14 114.74 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 26' ' ' LEU . 19.1 m -123.71 160.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -113.39 112.85 24.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.5 mt -84.85 110.43 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CD2' ' HA2' ' A' ' 45' ' ' GLY . 45.5 m-85 -77.94 -48.53 16.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -134.11 179.49 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -119.72 113.38 20.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.9 mm -67.62 -55.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -143.64 -179.88 6.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -60.36 -32.64 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -117.63 23.9 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.428 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 90.1 m95 -139.45 157.05 46.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -146.24 173.98 11.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -141.18 124.36 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.477 ' HA2' ' CD2' ' A' ' 35' ' ' TYR . . . -149.93 -154.26 6.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -137.81 142.96 40.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.481 ' CB ' HD21 ' A' ' 24' ' ' LEU . 50.8 t-80 -153.03 127.84 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 57.13 33.2 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.55 30.9 59.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HD3' HD12 ' A' ' 24' ' ' LEU . 16.3 ttt85 -133.73 124.32 26.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.812 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -100.97 125.32 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.99 -158.62 9.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 pt -125.24 159.43 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -160.17 152.63 17.45 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.79 142.08 46.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -71.1 -29.1 64.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -63.12 -14.35 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 13' ' ' LYS . 9.1 m-85 -95.96 -19.83 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.52 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.0 pp -121.25 174.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 59' ' ' ILE . 14.1 pt-20 -144.23 113.68 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.78 123.87 12.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.861 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -99.88 143.9 27.35 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.619 0.723 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.1 15.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.49 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -141.43 145.74 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -116.85 138.83 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . . . -81.32 110.77 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.167 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -69.73 -33.85 73.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -130.38 162.0 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.98 96.6 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -85.58 139.87 31.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.8 120.38 38.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.53 112.03 17.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.45 -37.98 89.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.7 p -147.23 -176.99 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.713 HD12 ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -56.27 -39.87 73.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -47.22 -40.48 16.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -98.1 168.62 10.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.494 HD12 ' CG ' ' A' ' 50' ' ' ARG . 11.7 tp -131.95 132.2 23.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.569 0.7 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.421 ' HD2' HD12 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.73 144.98 55.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.655 2.236 . . . . 0.0 112.386 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.678 HD11 ' CG ' ' A' ' 54' ' ' PHE . 35.6 mt -143.51 104.97 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -74.68 141.65 44.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -47.84 111.31 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.39 38.24 6.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -111.21 125.55 53.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mm -83.29 119.47 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' A' ' 26' ' ' LEU . 17.0 m -124.22 163.78 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -117.0 114.55 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.401 HG23 ' H ' ' A' ' 44' ' ' GLU . 67.5 mt -81.65 116.96 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -81.68 -38.02 26.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.522 ' HE3' HD13 ' A' ' 38' ' ' ILE . 51.5 pttt -152.07 163.04 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -102.74 113.72 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.629 HD11 ' OE1' ' A' ' 44' ' ' GLU . 13.0 mm -65.4 -61.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -134.86 175.85 9.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -60.81 -17.54 50.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -129.71 19.67 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -134.83 160.39 38.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.538 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 8.7 m-85 -143.04 179.46 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.629 ' OE1' HD11 ' A' ' 38' ' ' ILE . 8.5 tt0 -155.93 119.48 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.27 -152.25 5.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -130.01 152.9 48.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 50' ' ' ARG . 38.4 t-80 -164.48 133.69 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 41.28 47.55 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.37 31.88 80.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' CG ' HD12 ' A' ' 24' ' ' LEU . 12.6 tpp85 -134.79 136.0 42.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.0 t -116.47 143.04 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.07 -158.1 18.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.7 pt -124.21 156.31 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.678 ' CG ' HD11 ' A' ' 26' ' ' LEU . 18.3 p90 -158.27 150.68 17.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.68 138.3 37.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.538 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 12.1 ttt180 -64.01 -40.12 95.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -18.43 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.9 m-85 -89.05 -27.88 20.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.585 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.2 pp -116.44 -179.29 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.166 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.585 ' N ' HD12 ' A' ' 59' ' ' ILE . 12.5 pt-20 -139.01 149.62 44.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.9 mt -92.74 108.82 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.878 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -121.49 143.57 38.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.12 24.84 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.655 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -146.87 146.3 30.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -114.94 130.06 56.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -73.31 106.31 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 58' ' ' TYR . 35.8 mtmt -66.41 -40.61 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -129.78 164.13 24.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.63 123.14 25.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -107.5 144.81 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -120.9 106.19 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -68.09 113.59 5.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -57.45 -43.63 84.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.0 p -145.07 174.05 11.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -43.88 -47.29 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -40.01 -44.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.64 163.3 13.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.503 HD12 ' HD2' ' A' ' 25' ' ' PRO . 8.3 tp -123.2 130.95 24.37 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.503 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.75 151.76 69.17 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.529 HD11 ' CG ' ' A' ' 54' ' ' PHE . 24.2 mt -144.81 151.96 39.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.517 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 5.6 mt-30 -119.34 153.17 35.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -57.68 97.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.6 37.82 2.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.67 124.77 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mm -83.64 131.72 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.29 163.19 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -115.52 114.58 25.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mt -84.18 110.83 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -76.88 -47.98 19.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HE3' ' CD ' ' A' ' 44' ' ' GLU . 11.8 pttp -138.59 169.22 18.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -104.49 114.83 29.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 mm -68.8 -54.77 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -144.94 176.98 9.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -58.52 -24.74 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -125.75 24.15 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 80.3 m95 -138.67 159.84 41.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 18.3 m-85 -146.55 168.77 20.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' CD ' ' HE3' ' A' ' 36' ' ' LYS . 20.6 tt0 -135.91 123.56 22.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.75 -161.51 10.03 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -124.54 159.49 30.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.466 ' HB2' HD21 ' A' ' 24' ' ' LEU . 20.7 t-80 -163.31 117.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 51.76 41.53 29.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.08 33.9 61.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 21.8 ttm105 -139.43 123.43 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -106.02 141.49 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.68 -149.15 6.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.8 pt -134.09 148.89 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CG ' HD11 ' A' ' 26' ' ' LEU . 20.1 p90 -155.7 151.98 23.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.681 0.753 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.1 Cg_endo -69.71 148.71 66.01 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.511 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 59.3 ttt180 -73.91 -45.06 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.0 t -47.7 -28.54 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.52 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.6 m-85 -77.07 -34.85 57.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.655 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.3 pp -107.09 178.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.3 tp10 -143.53 114.45 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.45 121.32 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -119.16 141.27 30.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.633 0.73 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 133.65 26.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.73 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -147.97 131.86 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -104.27 132.41 50.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -70.43 122.97 20.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -85.37 -39.21 17.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -128.26 156.47 42.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.9 136.56 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -120.45 166.43 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -143.37 106.82 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -71.8 93.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -50.96 -38.57 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 p -136.36 -177.01 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tp -62.36 -47.89 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -40.08 -39.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -94.78 168.49 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.6 HD21 ' HB3' ' A' ' 47' ' ' HIS . 5.0 tp -131.48 131.71 23.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 143.32 50.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.314 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.8 mt -135.77 158.5 44.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.57 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 37.2 mt-30 -123.4 143.07 50.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -52.01 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.76 41.9 2.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.802 ' OD1' HG13 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -112.15 133.89 54.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.842 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.8 mm -90.25 122.8 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.802 HG13 ' OD1' ' A' ' 30' ' ' ASP . 27.3 m -126.03 168.91 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -122.36 107.26 11.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.428 HD12 HD21 ' A' ' 61' ' ' LEU . 96.5 mt -77.71 109.49 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' HA2' ' A' ' 45' ' ' GLY . 52.0 m-85 -76.68 -48.85 17.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -132.9 176.58 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HG3' ' CE1' ' A' ' 43' ' ' TYR . 50.1 tt0 -118.08 116.08 26.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 mm -72.54 -63.47 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -136.78 177.23 8.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -63.49 -17.91 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -127.89 20.61 6.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 87.6 m95 -140.87 159.67 41.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 27.3 m-85 -149.41 177.53 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -147.95 128.0 13.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' A' ' 35' ' ' TYR . . . -154.84 -152.06 6.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.508 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 21.9 tt0 -126.92 148.43 50.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.895 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.6 ' HB3' HD21 ' A' ' 24' ' ' LEU . 39.2 t-80 -162.89 124.7 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 49.63 54.18 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.72 24.21 32.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -128.16 135.67 50.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.02 147.59 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.65 -155.62 20.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.1 pt -125.9 160.22 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -160.36 149.74 14.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.727 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.77 139.41 40.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -64.72 -44.91 88.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.86 -18.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.0 m-85 -89.25 -33.29 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.73 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.9 pp -108.75 173.13 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.508 ' N ' HD12 ' A' ' 59' ' ' ILE . 9.9 tp10 -135.4 110.91 9.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.428 HD21 HD12 ' A' ' 34' ' ' ILE . 15.6 mt -59.63 113.28 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.886 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -106.12 143.85 27.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 142.26 47.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.733 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -161.0 132.69 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -102.01 132.82 47.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.489 ' CB ' ' OD2' ' A' ' 30' ' ' ASP . . . -71.62 119.43 15.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -74.48 -39.9 62.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -130.57 171.8 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.21 107.23 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 26' ' ' LEU . 83.7 t80 -88.6 146.11 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -114.29 118.82 34.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' A' ' 23' ' ' GLU . . . -81.81 112.22 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.66 -43.21 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.4 p -138.21 172.2 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.9 mt -49.07 -39.77 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.38 -44.02 16.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 75.5 mt-10 -96.98 146.24 25.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.474 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.7 tp -107.99 130.95 22.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.77 138.22 37.28 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD21 HG11 ' A' ' 32' ' ' VAL . 84.9 mt -132.43 141.45 48.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -111.56 151.49 28.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -59.65 113.14 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.65 30.03 6.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 12' ' ' ALA . 1.6 p30 -109.35 142.05 40.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 mm -108.05 115.67 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.433 HG11 HD21 ' A' ' 26' ' ' LEU . 34.5 m -119.91 168.16 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -118.23 115.1 24.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.9 mt -84.14 110.2 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -79.7 -45.08 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -142.43 169.99 16.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -112.14 113.04 25.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mm -62.35 -61.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -135.21 171.64 14.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -60.14 -12.54 8.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -129.69 18.63 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.4 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 82.2 m95 -142.13 161.81 37.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.571 ' CD2' ' HB3' ' A' ' 56' ' ' ARG . 6.9 m-85 -139.61 -177.94 5.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -150.56 122.69 8.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.13 -163.46 11.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HB2' HG22 ' A' ' 51' ' ' VAL . 39.0 tt0 -123.61 158.08 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.417 ' CB ' HD21 ' A' ' 24' ' ' LEU . 35.9 t-80 -162.73 124.82 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 43.91 45.08 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.77 24.33 77.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 18.4 ttm180 -128.27 116.77 20.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.409 HG22 ' HB2' ' A' ' 46' ' ' GLU . 81.9 t -103.81 124.04 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.95 -173.35 26.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.1 pt -107.58 150.64 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -156.22 154.21 26.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.2 Cg_endo -69.78 137.69 35.99 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HB3' ' CD2' ' A' ' 43' ' ' TYR . 17.6 ptt180 -71.42 -27.25 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.32 -6.36 13.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -99.97 -29.8 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.733 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.3 pp -109.86 168.23 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.063 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 9.2 pt-20 -131.35 118.58 20.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.18 119.02 8.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -114.56 143.07 29.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.56 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.7 Cg_endo -69.76 144.95 55.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -156.63 135.49 11.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 8.6 ttp-105 -104.5 132.93 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.14 111.93 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -73.14 -36.44 66.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -136.32 163.97 29.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -76.27 115.97 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -105.92 112.87 26.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -91.01 116.01 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.99 109.88 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -69.57 -28.74 66.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 p -141.2 154.23 45.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.0 mt -46.65 -34.8 5.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -49.67 -39.31 36.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -95.98 159.14 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 47' ' ' HIS . 6.2 tp -116.63 130.94 24.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.717 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 142.55 48.09 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.493 HD11 ' CD2' ' A' ' 54' ' ' PHE . 91.9 mt -135.79 129.66 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -100.84 142.21 32.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -42.83 133.25 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.6 46.79 91.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 1.4 m-20 -111.96 131.11 55.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.834 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.6 mm -90.13 114.72 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.6 m -124.24 166.08 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -123.45 120.53 33.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.3 mt -86.69 114.58 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -83.73 -37.35 22.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.61 171.4 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -118.85 121.04 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 mm -73.74 -56.2 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.52 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -65.33 -6.05 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -131.13 12.72 5.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.516 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 91.3 m95 -137.89 167.15 22.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 5.6 m-85 -149.82 173.69 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.981 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -144.3 125.75 14.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.25 -155.46 7.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -132.75 147.72 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.472 ' HB3' HD21 ' A' ' 24' ' ' LEU . 38.2 t-80 -160.06 123.54 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 58.36 53.47 6.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.71 31.96 58.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -133.35 164.02 28.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.9 t -141.33 143.25 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.55 -146.12 5.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 pt -137.01 156.77 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' A' ' 26' ' ' LEU . 7.0 p90 -160.0 153.3 18.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.67 0.747 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.516 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.76 142.72 48.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.408 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 5.5 ptm180 -74.31 -17.69 60.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -2.11 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.445 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.8 m-85 -107.91 -27.01 10.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.698 HD12 ' C ' ' A' ' 59' ' ' ILE . 1.8 pp -108.27 170.9 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' HD12 ' A' ' 59' ' ' ILE . 12.0 tp10 -133.5 111.96 11.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.17 127.11 29.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 9' ' ' PRO . 38.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.489 ' HD2' ' CD2' ' A' ' 61' ' ' LEU . 6.6 ptp85 -116.94 153.2 49.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.4 66.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.75 128.35 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -97.28 134.67 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.0 110.72 17.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 26.2 mmmt -66.42 -36.71 83.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 4.2 m-85 -140.92 145.35 35.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -63.56 111.55 2.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CE1' ' CD ' ' A' ' 55' ' ' PRO . 80.5 t80 -88.48 149.81 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -116.89 114.26 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.14 112.2 19.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -65.6 -40.25 92.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.0 p -132.46 -175.42 3.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.38 -41.99 98.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 5.0 ttpm? -43.68 -42.14 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -95.65 160.84 14.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.547 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.4 tp -125.36 132.74 24.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.631 0.729 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.547 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.7 141.9 46.71 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD11 ' CG ' ' A' ' 54' ' ' PHE . 36.8 mt -129.13 159.55 35.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' HB2' ' CG ' ' A' ' 30' ' ' ASP . 57.6 mt-30 -131.59 137.98 48.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -49.16 113.56 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.71 36.41 6.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.498 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.447 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 1.1 m-20 -111.29 132.39 54.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.328 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.36 102.19 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.497 HG12 ' HB2' ' A' ' 47' ' ' HIS . 28.5 m -106.02 157.55 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -108.97 107.31 17.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mt -73.96 110.34 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -76.57 -48.83 18.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -145.17 178.79 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.533 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -112.56 130.75 55.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.7 mm -88.85 -46.27 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -152.08 177.38 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -65.08 -12.89 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.87 14.6 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -140.97 147.69 39.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -135.34 179.05 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -139.77 136.66 34.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.49 -156.06 8.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -133.18 150.33 52.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.497 ' HB2' HG12 ' A' ' 32' ' ' VAL . 44.2 t-80 -163.83 125.88 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 55.71 50.69 13.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.09 36.73 68.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -137.91 148.48 45.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.96 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.05 -171.47 40.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 pt -110.15 162.64 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CG ' HD11 ' A' ' 26' ' ' LEU . 11.5 p90 -160.2 151.34 15.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.75 138.54 38.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -38.98 92.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -15.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.2 m-85 -92.38 -30.25 15.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.2 pp -108.64 178.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.538 ' N ' HD12 ' A' ' 59' ' ' ILE . 11.6 tp10 -143.83 116.82 8.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 38.3 mt -62.48 106.66 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.857 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -114.35 174.69 5.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -111.83 156.04 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.55 -101.66 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.561 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.1 p -115.96 139.89 49.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -125.25 123.74 40.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.26 168.5 29.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -106.38 143.71 27.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.627 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.3 Cg_endo -69.82 127.97 15.31 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.53 143.83 28.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -109.8 135.61 50.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -73.55 108.74 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -69.23 -31.29 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -144.71 154.49 42.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.13 144.0 56.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -133.04 130.77 39.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -100.33 112.31 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.401 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -81.55 110.5 16.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.29 -45.41 80.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.4 p -129.04 178.76 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.8 mt -56.93 -49.47 75.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' LEU . 6.7 ttpm? -37.54 -43.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -97.38 155.07 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.77 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.6 tp -122.99 138.54 29.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.77 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.73 157.89 58.9 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.317 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.448 ' CD2' HG11 ' A' ' 32' ' ' VAL . 87.9 mt -150.39 159.81 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.665 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 22.9 mt-30 -133.73 143.93 48.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.34 94.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.71 -25.65 5.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.1 138.64 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.783 0.325 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.466 HD12 HD11 ' A' ' 62' ' ' LEU . 18.5 mm -96.64 148.41 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.587 HG12 ' HB2' ' A' ' 47' ' ' HIS . 30.0 m -141.91 167.04 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -121.12 109.99 15.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -80.05 113.79 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.205 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -80.51 -41.54 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -146.58 171.5 14.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -110.38 119.76 40.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mm -67.2 -61.57 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -137.4 -175.54 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -66.78 -18.05 65.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -128.19 20.68 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -138.9 164.13 30.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 14.3 m-85 -145.84 174.36 11.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -143.8 129.75 19.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 51' ' ' VAL . . . -158.34 -152.33 6.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -143.09 149.67 38.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.604 ' HB3' HD21 ' A' ' 24' ' ' LEU . 11.6 t-80 -163.04 118.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 65.6 54.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.33 32.89 45.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 28.1 ttt85 -137.39 139.48 40.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 45' ' ' GLY . 11.7 t -122.07 136.63 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.48 -153.89 8.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.7 pt -130.67 152.63 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 111.165 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -156.46 156.12 29.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.465 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.73 150.7 68.74 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 42.8 ptt85 -77.51 -18.95 56.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.451 HG22 ' H ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -75.13 -5.76 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.465 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.3 m-85 -103.65 -27.64 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.638 HD12 ' C ' ' A' ' 59' ' ' ILE . 1.9 pp -109.65 171.98 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' N ' HD12 ' A' ' 59' ' ' ILE . 14.7 tt0 -139.39 109.74 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.4 mt -56.62 106.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 9' ' ' PRO . 91.6 mt -55.98 166.9 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -129.3 134.2 47.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.32 -95.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.372 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.9 t -157.49 111.79 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -130.81 97.74 4.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 100.0 p -138.95 144.92 39.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.387 . . . . 0.0 110.825 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -101.65 -32.75 10.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.59 -111.61 3.88 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -113.74 171.95 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -155.34 156.75 36.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.4 -176.35 43.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -106.88 144.01 28.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.717 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 125.07 11.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.596 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -139.27 140.34 37.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HB2' HD11 ' A' ' 62' ' ' LEU . 33.9 ttp180 -107.59 140.64 40.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -81.19 115.0 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -76.46 -37.38 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -133.06 163.67 28.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.19 130.16 39.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -121.44 120.07 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -96.95 116.78 29.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.03 110.92 17.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.519 ' HG3' HG23 ' A' ' 20' ' ' THR . 7.2 pt20 -62.07 -44.8 95.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.519 HG23 ' HG3' ' A' ' 19' ' ' GLN . 9.3 p -137.54 175.97 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.4 tp -50.11 -50.97 46.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 21' ' ' LEU . 26.7 tttt -34.24 -44.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -100.83 159.56 15.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.804 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.1 tp -125.07 138.38 31.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.711 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.804 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.77 154.25 67.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.574 ' CD2' HG11 ' A' ' 32' ' ' VAL . 54.1 mt -148.13 113.29 5.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 6.8 tt0 -82.68 142.86 31.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -54.34 104.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.9 37.39 3.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.75 141.37 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.9 mm -94.81 118.08 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.574 HG11 ' CD2' ' A' ' 26' ' ' LEU . 35.2 m -122.37 156.03 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -113.67 115.6 28.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.418 HG21 ' CD1' ' A' ' 43' ' ' TYR . 20.8 mt -88.74 120.1 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -88.46 -41.97 12.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -136.54 169.34 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -115.15 103.39 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.427 HG22 ' OD1' ' A' ' 39' ' ' ASP . 36.3 mm -53.6 -67.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' HG22 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -134.23 -178.93 5.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -65.38 -16.69 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -127.72 21.09 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.486 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 83.2 m95 -142.36 161.57 37.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 17.8 m-85 -146.91 171.95 14.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.561 ' OE1' HG22 ' A' ' 53' ' ' ILE . 16.3 tp10 -140.77 126.91 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.9 -157.43 8.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -134.66 139.41 45.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.629 ' HB3' HD11 ' A' ' 24' ' ' LEU . 40.0 t-80 -140.24 116.04 10.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 51.0 53.81 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.67 36.52 92.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -137.95 115.91 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.4 t -97.37 126.55 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.71 168.57 39.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.561 HG22 ' OE1' ' A' ' 44' ' ' GLU . 9.6 pt -98.49 151.18 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CG ' HD11 ' A' ' 26' ' ' LEU . 12.5 p90 -154.74 154.86 29.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.69 148.3 65.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.433 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 46.9 ttp180 -76.0 -35.96 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.78 -11.21 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 14.5 m-85 -95.64 -29.97 14.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.596 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.2 pp -110.58 172.3 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 59' ' ' ILE . 11.9 tp10 -134.08 117.72 16.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.82 110.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 11' ' ' ARG . 26.3 mt -81.72 103.06 11.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m -67.98 123.67 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.61 -88.11 0.51 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 167.74 23.59 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.694 2.263 . . . . 0.0 112.292 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.9 p -138.0 130.04 28.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -50.01 133.82 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -102.79 -46.24 4.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.819 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -166.51 123.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.25 -103.42 2.56 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -91.67 113.25 25.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' CZ ' ' A' ' 8' ' ' ARG . 2.1 m -113.39 134.72 54.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.58 146.17 22.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' CZ ' ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -104.51 143.27 26.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.723 . . . . 0.0 110.85 -179.811 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 150.97 68.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.293 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.674 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -161.6 141.34 10.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -108.52 133.04 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -78.13 116.3 18.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -73.2 -45.6 55.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -120.78 179.88 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -90.51 133.26 35.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -125.8 128.26 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.08 130.99 47.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.57 111.61 23.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.24 -45.79 75.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.0 p -133.2 177.72 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 22' ' ' LYS . 36.2 mt -51.91 -48.93 63.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 21' ' ' LEU . 23.2 ttpt -36.8 -46.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -95.39 164.74 12.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.594 HD12 ' HD2' ' A' ' 25' ' ' PRO . 5.2 tp -134.25 136.17 25.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.594 ' HD2' HD12 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.74 143.84 52.23 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.634 HD11 ' CG ' ' A' ' 54' ' ' PHE . 60.0 mt -143.8 105.03 4.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.59 144.33 35.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -48.38 104.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.02 39.53 3.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.442 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 6.1 m-20 -110.24 133.5 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.5 mm -95.64 119.82 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.664 HG12 ' HB2' ' A' ' 47' ' ' HIS . 29.5 m -125.75 167.92 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -118.8 110.67 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.3 mt -76.52 111.57 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.186 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -83.34 -47.71 11.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.58 174.14 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -116.03 107.57 15.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.0 mm -61.53 -59.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -138.72 -177.09 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -69.43 -14.06 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -130.74 19.09 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 86.0 m95 -136.99 167.74 20.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 10.0 m-85 -151.49 168.93 23.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -139.0 124.51 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.59 -161.27 10.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' OE1' ' C ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -125.34 153.42 43.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.374 . . . . 0.0 110.842 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.664 ' HB2' HG12 ' A' ' 32' ' ' VAL . 39.4 t-80 -164.66 130.55 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 45.91 48.85 12.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.37 30.07 73.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.594 ' HG2' HD12 ' A' ' 24' ' ' LEU . 7.3 tpp85 -131.1 141.82 50.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.2 t -122.76 137.71 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.22 -165.92 33.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.6 pt -113.49 158.56 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.634 ' CG ' HD11 ' A' ' 26' ' ' LEU . 26.4 p90 -162.89 148.93 10.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.77 143.05 49.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 18.4 ttt180 -70.34 -43.0 71.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -49.34 -25.45 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.7 m-85 -80.02 -33.38 39.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.674 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.9 pp -107.2 174.72 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.534 ' N ' HD12 ' A' ' 59' ' ' ILE . 17.3 tp10 -141.31 115.11 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.4 138.68 56.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.4 mt -95.51 162.47 13.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.9 t -88.49 161.49 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -147.72 -176.8 21.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 171.11 15.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.3 m -160.88 161.25 31.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 t -84.61 126.12 33.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -112.13 171.25 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -77.08 167.13 22.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.96 -139.05 6.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 p -125.66 115.17 19.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -82.79 125.93 31.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.81 166.78 36.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -115.44 143.56 30.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 123.8 10.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.625 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -133.1 139.09 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.074 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HB2' HD11 ' A' ' 62' ' ' LEU . 59.6 ttt180 -111.84 132.8 54.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 119.11 14.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -79.43 -37.69 36.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -133.82 174.06 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -81.14 126.6 31.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -119.67 123.01 42.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -99.45 101.06 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.438 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -54.45 109.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -55.21 -45.69 75.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.9 p -143.31 173.43 11.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.5 tp -45.78 -44.33 13.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -42.51 -45.63 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -95.87 161.47 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.779 HD21 ' HB3' ' A' ' 47' ' ' HIS . 6.9 tp -121.52 135.9 25.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.644 0.735 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.599 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.82 148.6 65.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.69 2.26 . . . . 0.0 112.298 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.481 HD11 ' CG ' ' A' ' 54' ' ' PHE . 17.8 mt -140.38 139.03 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -108.74 142.37 39.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -49.38 107.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.6 39.17 4.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -110.79 137.52 48.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.7 mm -93.14 132.24 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG23 ' HB3' ' A' ' 10' ' ' ALA . 22.1 m -141.34 163.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -118.9 110.98 17.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -79.84 110.04 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.402 ' OH ' ' CB ' ' A' ' 46' ' ' GLU . 24.7 m-85 -77.6 -40.47 42.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -146.6 177.58 8.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -117.76 110.6 18.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mm -59.45 -60.07 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -136.25 -176.54 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -18.43 65.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -128.74 25.25 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 79.9 m95 -139.61 167.68 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 14.9 m-85 -153.92 161.11 42.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -131.62 126.16 34.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.57 -161.15 10.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' CB ' ' OH ' ' A' ' 35' ' ' TYR . 26.5 tt0 -125.49 152.1 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.779 ' HB3' HD21 ' A' ' 24' ' ' LEU . 58.1 t-80 -158.68 127.33 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 50.68 34.81 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.07 17.54 78.14 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.459 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 16.1 ttm180 -124.12 121.44 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.12 130.93 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.79 -166.5 21.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 pt -117.21 155.93 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.481 ' CG ' HD11 ' A' ' 26' ' ' LEU . 10.9 p90 -161.54 153.78 16.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.659 0.742 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.8 144.82 55.05 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.547 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 24.5 ttp85 -73.19 -30.14 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -63.37 -7.5 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.483 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 13.0 m-85 -103.14 -27.6 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.747 HD12 ' N ' ' A' ' 60' ' ' GLU . 1.8 pp -107.65 -178.45 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.747 ' N ' HD12 ' A' ' 59' ' ' ILE . 15.7 tt0 -151.47 113.04 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.5 mt -53.78 130.66 37.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 11' ' ' ARG . 55.0 mt -95.92 104.16 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.1 t -142.76 136.86 29.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.76 -158.52 37.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 98.27 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.4 t -38.32 155.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.6 p -56.37 -34.99 67.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 m -75.36 154.87 37.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.932 0.396 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 p -89.99 93.14 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.26 -59.87 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.525 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -149.77 142.01 24.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.376 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 t -94.92 132.42 39.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.8 -175.43 38.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -125.8 143.92 46.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.11 11.75 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.295 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -135.42 146.77 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -120.1 133.06 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.54 116.11 19.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 2.0 mmmm -73.39 -35.07 65.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 4.3 m-85 -134.0 171.93 13.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.2 135.01 35.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -129.23 133.41 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -105.12 119.53 39.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -79.56 102.11 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.57 -42.79 64.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.2 p -145.66 175.33 10.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.22 -46.6 9.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -39.38 -49.08 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -94.75 163.93 13.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.603 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.7 tp -127.68 134.83 26.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 135.84 31.5 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.392 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.529 HD11 ' CG ' ' A' ' 54' ' ' PHE . 38.3 mt -132.05 133.49 44.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -105.48 141.93 36.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -46.36 118.73 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.89 41.61 12.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -111.32 137.18 49.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.0 mm -93.53 122.03 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 10' ' ' ALA . 17.2 m -126.14 161.37 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -117.01 109.32 16.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.3 mt -77.01 116.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -82.96 -42.82 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -141.68 179.08 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -119.75 105.24 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mm -60.41 -56.14 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -138.44 -179.0 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.61 -23.07 66.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -123.76 14.53 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.411 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 84.3 m95 -129.42 157.44 41.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -144.3 175.11 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -147.88 122.07 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.87 -150.98 5.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.498 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -132.02 148.8 52.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.603 ' CB ' HD21 ' A' ' 24' ' ' LEU . 16.4 t-80 -158.7 117.56 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 59.65 42.79 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.7 30.32 76.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.473 ' HB3' HD11 ' A' ' 24' ' ' LEU . 21.7 ttt180 -134.04 138.62 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.85 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.4 t -114.03 143.35 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.62 -161.66 25.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.1 pt -123.42 152.67 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CG ' HD11 ' A' ' 26' ' ' LEU . 12.1 p90 -153.42 148.55 19.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.748 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.55 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.3 Cg_endo -69.77 139.42 40.16 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -64.39 -42.25 96.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -18.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.55 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 8.9 m-85 -89.25 -32.64 17.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.645 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.3 pp -109.95 -175.27 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.645 ' N ' HD12 ' A' ' 59' ' ' ILE . 19.6 pt-20 -145.55 133.24 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.0 mt -75.35 97.78 3.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.94 87.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.2 p -136.56 138.01 40.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.45 80.83 0.33 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 113.2 3.3 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.363 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t -65.53 -55.12 19.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.8 m -50.33 134.29 23.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.468 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 m -101.1 99.16 9.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 p -106.73 -51.01 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.38 -152.9 6.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -55.7 126.07 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -102.07 158.09 16.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.38 163.05 6.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -128.53 143.61 48.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.656 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.7 144.28 53.81 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.607 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -158.7 134.09 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CZ ' ' HA2' ' A' ' 29' ' ' GLY . 12.4 ttt-85 -101.69 129.59 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 59' ' ' ILE . . . -74.07 112.26 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -71.53 -35.06 70.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -129.44 173.11 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.63 109.11 20.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.654 ' CE2' ' CD ' ' A' ' 55' ' ' PRO . 43.5 t80 -90.45 142.19 27.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -116.26 117.73 30.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -86.53 109.1 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -66.69 -41.57 87.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.7 p -134.06 168.06 19.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.6 tt -47.44 -48.5 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -37.56 -40.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -101.58 157.83 16.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.773 HD12 ' HD2' ' A' ' 25' ' ' PRO . 8.8 tp -121.48 134.66 24.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.773 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.76 152.4 69.3 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.666 HD11 ' CB ' ' A' ' 54' ' ' PHE . 8.4 mt -145.02 128.82 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -97.46 143.31 28.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -53.27 111.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' A' ' 11' ' ' ARG . . . 92.92 37.33 5.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 1.7 m-20 -112.01 128.08 56.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.0 mm -87.88 111.93 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 m -114.07 166.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.183 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -119.47 110.48 16.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.478 HG21 ' CD1' ' A' ' 43' ' ' TYR . 28.5 mt -78.95 111.74 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -76.27 -47.36 24.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -146.29 162.9 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 37.7 tt0 -97.38 125.54 42.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.8 mm -79.05 -61.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -134.25 -179.27 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -64.0 -18.68 64.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -130.65 22.47 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -138.04 161.68 36.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 12.7 m-85 -144.64 -179.93 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -146.42 125.02 12.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.72 -167.07 17.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 1.6 tm-20 -120.23 151.22 39.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.452 ' CB ' HD21 ' A' ' 24' ' ' LEU . 22.2 t-80 -161.98 128.28 3.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 24.8 t-80 50.32 53.78 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.51 34.25 59.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.473 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -136.61 158.78 43.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.69 144.84 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.57 -165.42 35.7 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.7 pt -116.01 155.95 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.666 ' CB ' HD11 ' A' ' 26' ' ' LEU . 15.2 p90 -157.82 150.75 18.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.654 ' CD ' ' CE2' ' A' ' 16' ' ' PHE . 53.8 Cg_endo -69.76 133.56 25.88 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.534 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 5.3 ptm180 -61.69 -42.37 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.1 p -48.43 -23.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 8.6 m-85 -81.51 -30.96 33.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.607 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.4 pp -109.99 -176.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.576 ' N ' HD12 ' A' ' 59' ' ' ILE . 5.4 tp10 -147.12 114.38 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.76 120.83 10.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.656 HD12 ' HB2' ' A' ' 9' ' ' PRO . 44.3 mt -78.61 98.16 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.1 p -59.29 91.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.8 83.27 0.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.66 3.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.8 m -73.87 -53.22 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.1 t -100.19 161.03 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m -68.61 85.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t 64.27 42.48 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.21 105.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -85.88 160.91 19.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 m -77.53 -53.13 7.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.47 143.9 44.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -116.62 143.42 31.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.79 128.22 15.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.836 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -137.28 142.71 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -115.82 132.87 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.9 118.53 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -77.23 -33.6 56.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -127.74 175.73 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.66 99.66 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CE1' ' CD ' ' A' ' 55' ' ' PRO . 74.5 t80 -87.55 134.95 33.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.93 120.74 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 23' ' ' GLU . . . -84.88 105.44 15.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -63.41 -39.76 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.2 p -135.19 168.79 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' LYS . 34.8 tp -49.5 -49.15 46.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LEU . 14.5 mmmt -37.6 -41.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.423 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 12.7 mt-10 -99.27 149.73 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD21 ' CB ' ' A' ' 47' ' ' HIS . 14.9 tp -112.45 133.92 21.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.721 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.79 144.81 55.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.598 HD11 ' CG ' ' A' ' 54' ' ' PHE . 28.1 mt -140.29 128.3 22.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -98.24 144.77 27.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -50.08 107.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.43 34.04 6.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.466 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 5.6 m-20 -106.57 137.91 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.666 HD12 HD11 ' A' ' 62' ' ' LEU . 50.2 mm -95.88 130.56 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.56 164.96 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -117.52 114.74 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.9 mt -84.1 108.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -78.65 -45.84 20.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -135.65 174.03 11.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -118.91 113.71 21.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.417 HG13 ' CG2' ' A' ' 53' ' ' ILE . 19.9 mm -67.32 -65.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -130.46 -179.52 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.418 ' NE2' ' OD1' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -65.42 -19.68 66.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.418 ' OD1' ' NE2' ' A' ' 40' ' ' GLN . 22.4 m-20 -124.81 20.07 8.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.541 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 91.4 m95 -138.92 163.68 31.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 21.5 m-85 -147.46 -178.55 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -147.29 127.08 13.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.04 -156.55 8.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.447 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -126.08 153.05 45.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.766 ' CB ' HD21 ' A' ' 24' ' ' LEU . 12.0 t-80 -164.55 124.24 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 23.7 t-160 60.03 42.25 16.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.75 33.14 86.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -134.95 172.52 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.2 t -140.56 142.1 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.83 -171.51 44.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.417 ' CG2' HG13 ' A' ' 38' ' ' ILE . 19.9 pt -113.56 155.28 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CG ' HD11 ' A' ' 26' ' ' LEU . 2.6 p90 -154.07 155.2 30.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.541 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.4 Cg_endo -69.76 135.75 31.26 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.527 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 27.9 ttt85 -66.73 -41.86 87.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.576 HG23 ' HD1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -52.94 -17.48 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.169 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.576 ' HD1' HG23 ' A' ' 57' ' ' THR . 7.6 m-85 -88.26 -32.71 18.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.836 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.8 pp -111.63 178.8 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.688 ' N ' HD12 ' A' ' 59' ' ' ILE . 17.6 pt-20 -146.86 129.32 15.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.31 112.73 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.666 HD11 HD12 ' A' ' 31' ' ' ILE . 69.6 mt -63.79 136.98 57.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -89.12 160.68 16.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.14 155.88 26.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.6 Cg_endo -69.71 119.55 6.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' PRO . 59.5 p 36.56 41.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 t -96.99 86.04 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -130.27 106.98 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -78.9 100.21 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.33 -105.88 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.454 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -147.91 135.28 20.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -124.67 147.79 48.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.2 -179.58 17.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.523 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -123.37 144.18 43.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.702 ' HB2' HD12 ' A' ' 62' ' ' LEU . 54.0 Cg_endo -69.76 128.5 16.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -141.05 132.83 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -103.45 143.63 32.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -86.69 106.39 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -65.57 -35.14 79.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -133.3 172.41 12.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -83.99 130.6 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -116.61 142.55 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -116.01 119.76 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.11 111.74 23.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.047 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -68.34 -39.58 81.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -141.12 175.27 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 22' ' ' LYS . 13.6 tp -48.23 -49.42 33.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 21' ' ' LEU . 5.6 tmtm? -35.0 -49.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -98.03 155.91 16.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.87 HD12 ' HD2' ' A' ' 25' ' ' PRO . 10.6 tp -119.1 133.36 23.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.87 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.3 Cg_endo -69.79 135.7 31.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.641 2.227 . . . . 0.0 112.318 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' A' ' 54' ' ' PHE . 35.5 mt -128.08 155.98 43.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 30.2 mt-30 -131.36 144.79 51.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -52.88 114.08 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.84 28.89 17.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.439 ' CG ' ' HB2' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -103.89 124.0 48.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.4 mm -84.25 122.33 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.497 HG23 ' HB3' ' A' ' 10' ' ' ALA . 35.4 m -125.49 161.59 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -115.5 112.64 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.526 HG21 ' CD1' ' A' ' 43' ' ' TYR . 16.5 mt -86.79 121.14 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -87.72 -43.85 11.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.675 ' HE3' HD13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -145.97 162.53 37.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -98.41 115.74 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.675 HD13 ' HE3' ' A' ' 36' ' ' LYS . 5.1 mm -65.18 -64.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -128.97 -178.09 4.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -67.16 -15.54 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -132.89 23.65 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.438 ' CE3' HD12 ' A' ' 53' ' ' ILE . 65.7 m95 -140.51 168.73 19.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.526 ' CD1' HG21 ' A' ' 34' ' ' ILE . 20.8 m-85 -148.38 175.39 11.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -143.63 122.42 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.33 -162.21 11.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 40.1 tt0 -123.2 158.74 30.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.436 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 55.0 t-80 -163.01 110.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.402 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 12.1 t-80 58.06 44.69 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.86 28.58 70.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -133.83 124.53 26.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.7 t -108.74 134.0 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.22 -154.43 8.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.438 HD12 ' CE3' ' A' ' 42' ' ' TRP . 10.9 pt -128.27 161.09 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.474 ' CG ' HD11 ' A' ' 26' ' ' LEU . 9.6 p90 -164.88 149.77 8.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.77 137.12 34.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 6.4 tmm_? -59.36 -48.29 82.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.5 p -44.92 -30.79 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.2 m-85 -74.74 -36.8 62.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.5 pp -108.2 -175.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.555 ' N ' HD12 ' A' ' 59' ' ' ILE . 14.4 pt-20 -150.16 127.27 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.29 117.33 9.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.702 HD12 ' HB2' ' A' ' 9' ' ' PRO . 20.4 mt -75.33 146.02 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -126.32 155.93 41.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.61 -174.2 46.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.35 62.62 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.244 . . . . 0.0 112.324 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.5 m -125.81 139.24 53.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.0 t -110.85 134.49 52.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.464 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 51.66 41.18 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -132.98 144.56 50.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.74 163.05 29.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -87.14 131.65 34.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -71.69 -36.73 70.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.0 168.22 22.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -108.94 144.16 29.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.58 17.84 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.25 148.95 33.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.497 ' HB2' HD11 ' A' ' 62' ' ' LEU . 54.2 ttp180 -117.79 130.17 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -76.31 110.5 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.47 -38.81 92.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.439 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -131.11 163.64 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.45 105.8 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -90.84 139.55 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -107.9 128.11 54.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.34 128.24 42.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -85.7 -33.64 21.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -140.81 174.8 10.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 mp -51.64 -46.95 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ILE . 11.7 tppt? -41.13 -43.27 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -96.89 157.88 15.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.826 HD12 ' HD2' ' A' ' 25' ' ' PRO . 13.5 tp -126.28 132.91 24.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.826 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.78 133.18 24.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 54' ' ' PHE . 40.0 mt -125.99 152.96 45.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.523 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 41.7 mm-40 -123.94 158.99 30.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -62.54 109.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.1 43.97 5.19 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.35 133.45 54.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.6 mm -94.98 114.46 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.93 165.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -118.7 110.47 17.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.7 mt -78.79 112.34 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -78.21 -42.13 32.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -145.83 175.64 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -117.9 118.33 31.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.9 mm -71.9 -60.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -131.08 177.3 7.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -66.23 -13.68 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -129.03 12.31 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.437 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 78.7 m95 -130.07 162.23 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 19.3 m-85 -147.08 175.96 10.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -149.38 129.15 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.8 -145.61 4.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -140.34 148.42 41.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.471 ' CB ' HD21 ' A' ' 24' ' ' LEU . 49.5 t-80 -161.9 126.6 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.7 m170 54.35 42.85 31.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.28 32.07 82.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.46 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 22.2 ttm-85 -134.6 134.86 41.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.0 t -114.7 133.43 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.68 -155.95 9.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' LYS . 11.0 pt -128.18 156.7 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 111.148 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.532 ' CG ' HD11 ' A' ' 26' ' ' LEU . 7.2 p90 -157.87 153.84 23.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.543 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.78 144.65 54.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 2.8 tpt180 -69.61 -44.99 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -19.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.8 m-85 -86.63 -30.64 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.499 HD12 ' C ' ' A' ' 59' ' ' ILE . 2.3 pp -112.05 171.63 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' OE2' ' NH2' ' A' ' 11' ' ' ARG . 8.0 pt-20 -135.23 118.31 16.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.57 108.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 11' ' ' ARG . 17.5 mt -78.74 154.36 30.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.8 p -70.46 163.06 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.3 79.67 0.17 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 105.23 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.4 p -95.07 143.5 26.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.7 m -76.71 155.74 33.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.463 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -80.16 -54.52 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.4 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -65.3 148.9 50.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.3 109.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.5 m -104.59 47.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 p -62.69 -34.68 77.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.53 158.81 5.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -121.6 143.21 37.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.4 19.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.634 2.223 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.571 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -142.9 131.74 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -101.4 130.86 47.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.83 112.55 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -72.98 -37.87 66.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -132.01 165.13 24.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.93 105.38 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -89.95 146.11 24.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -119.19 124.7 47.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.17 114.36 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.23 -43.98 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.7 p -127.1 179.11 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 mp -58.04 -47.7 82.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -38.96 -42.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -97.05 153.34 17.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.761 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.5 tp -121.36 133.27 24.16 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 142.94 49.21 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.8 mt -134.2 124.17 25.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -91.11 144.22 25.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -50.42 104.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.08 44.84 3.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.499 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -111.09 134.92 52.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.1 mm -93.39 114.86 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.1 m -123.57 162.58 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -116.49 110.7 18.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.57 HG21 ' CD1' ' A' ' 43' ' ' TYR . 24.6 mt -81.69 113.26 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -80.15 -45.3 18.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -141.72 170.31 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -112.46 114.66 27.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.443 HG13 ' CG2' ' A' ' 53' ' ' ILE . 30.4 mm -62.8 -65.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -130.18 174.88 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 29.7 tp60 -61.61 -13.26 20.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -129.34 13.21 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -134.7 164.23 27.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CD1' HG21 ' A' ' 34' ' ' ILE . 12.4 m-85 -143.65 -178.79 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -150.92 123.58 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.97 -157.21 7.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HB2' HG22 ' A' ' 51' ' ' VAL . 20.5 tt0 -128.12 156.53 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.761 ' CB ' HD21 ' A' ' 24' ' ' LEU . 23.4 t-80 -163.55 122.16 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t60 51.09 42.82 29.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.85 22.5 78.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.403 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 19.5 ttm180 -128.93 120.04 25.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' A' ' 46' ' ' GLU . 75.2 t -101.5 126.96 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.9 179.93 35.12 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.443 ' CG2' HG13 ' A' ' 38' ' ' ILE . 22.7 pt -101.8 159.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.165 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -165.18 155.16 11.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.58 42.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.524 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 31.1 ptt180 -70.34 -40.58 74.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.436 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 14.9 t -51.19 -24.85 4.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -79.99 -31.03 39.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.571 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.3 pp -109.64 176.82 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 59' ' ' ILE . 11.7 tt0 -146.04 110.8 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.1 mt -54.4 118.55 4.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.0 mt -75.83 -48.07 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.8 p -79.58 173.34 12.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.43 164.23 9.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.435 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 121.14 7.84 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.372 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 t -105.45 147.99 27.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 t -58.86 -46.41 87.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 p -100.18 170.96 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -131.54 -45.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.38 -93.95 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 p -125.31 172.63 9.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -143.73 138.11 28.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.16 172.18 54.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.8 mtm-85 -111.99 143.05 27.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 122.66 9.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.288 . . . . 0.0 112.311 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -143.42 147.11 34.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -115.29 137.06 52.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.33 111.33 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 58' ' ' TYR . 14.8 mmmt -68.95 -31.77 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -136.46 166.57 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -81.73 113.12 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 17' ' ' LYS . 26.7 t80 -102.04 150.32 23.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 21.9 pttp -124.65 122.53 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -91.25 114.9 27.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.78 -34.3 66.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 p -140.05 174.49 10.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 mp -50.86 -47.08 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -39.14 -42.84 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -100.26 159.46 15.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.681 HD12 ' HD2' ' A' ' 25' ' ' PRO . 4.9 tp -124.71 133.01 24.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.609 0.718 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.681 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.76 133.74 26.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.342 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.603 ' CD2' HG11 ' A' ' 32' ' ' VAL . 76.9 mt -133.18 143.42 49.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -114.41 143.13 45.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -55.12 119.38 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.66 -26.91 22.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.77 151.92 37.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.621 HD12 HD11 ' A' ' 62' ' ' LEU . 7.3 mm -112.8 138.0 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.603 HG11 ' CD2' ' A' ' 26' ' ' LEU . 3.9 m -132.7 172.0 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -121.45 114.71 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.1 mt -84.2 115.17 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -82.92 -46.05 13.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -137.53 177.69 7.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -119.18 103.62 9.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.66 -67.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -128.99 -179.02 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.438 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 58.7 mt-30 -65.0 -13.66 58.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -131.64 15.21 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 78.1 m95 -132.18 158.08 42.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 56' ' ' ARG . 12.7 m-85 -140.13 178.79 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -146.46 124.19 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.71 -172.88 20.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -124.54 145.92 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -161.0 125.53 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 59.77 44.05 14.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.5 21.35 64.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.497 ' HG2' HD12 ' A' ' 24' ' ' LEU . 9.6 tpt180 -123.35 143.09 50.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.3 t -127.11 142.75 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.92 -155.95 14.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.5 pt -128.19 150.39 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CG ' HD11 ' A' ' 26' ' ' LEU . 4.8 p90 -152.97 152.82 28.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.746 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.76 128.51 16.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HB3' ' CD2' ' A' ' 43' ' ' TYR . 26.7 ptt180 -57.4 -19.04 20.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 p -71.03 -22.54 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.516 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.4 m-85 -88.25 -22.71 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.2 pp -117.56 175.68 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' HD12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -143.97 137.9 28.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.7 mt -79.25 104.08 9.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.621 HD11 HD12 ' A' ' 31' ' ' ILE . 8.0 mt -56.46 146.36 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.7 p -70.57 122.97 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.94 83.3 0.34 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.94 11.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.1 t -44.38 -34.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -116.57 134.54 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m 45.38 48.56 10.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.4 p -63.95 -44.21 93.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -96.81 -118.95 3.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.548 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.6 m 35.22 45.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -107.8 114.96 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.41 157.3 21.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -108.53 143.88 28.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.564 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.9 Cg_endo -69.75 141.53 45.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.832 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -149.84 129.67 13.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -98.37 124.73 43.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -70.82 113.82 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -69.92 -33.41 72.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -140.1 155.63 46.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -67.14 128.32 35.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -110.91 140.87 45.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -115.33 115.17 26.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -84.37 113.14 20.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -69.13 -37.48 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -137.56 177.58 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 tp -55.43 -44.58 76.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.04 -44.55 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -95.54 163.2 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.6 tp -125.87 132.43 24.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.672 0.749 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.63 63.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.362 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mt -147.06 165.58 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 48.5 mt-30 -134.33 155.56 50.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -57.03 101.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.88 44.23 2.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.11 137.0 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 mm -94.01 118.29 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 m -125.6 158.08 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -113.73 112.3 23.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.422 HG21 ' CD1' ' A' ' 43' ' ' TYR . 13.8 mt -84.64 117.07 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -85.32 -41.07 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -140.97 174.24 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -115.88 107.9 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.404 HG13 ' CG2' ' A' ' 53' ' ' ILE . 25.7 mm -58.09 -60.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -139.65 176.08 9.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -63.58 -11.66 26.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -131.47 19.94 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.476 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 88.3 m95 -142.54 170.18 16.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 22.4 m-85 -152.14 176.78 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -144.54 124.06 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.18 -162.49 11.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -124.31 151.33 44.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.766 ' CB ' HD21 ' A' ' 24' ' ' LEU . 52.0 t-80 -157.08 108.3 2.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 61.39 54.02 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.03 26.18 65.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HB3' HD11 ' A' ' 24' ' ' LEU . 19.2 ttm-85 -130.83 123.81 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.843 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.0 t -106.86 134.34 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.87 -169.78 34.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.404 ' CG2' HG13 ' A' ' 38' ' ' ILE . 8.4 pt -109.19 162.66 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -165.49 151.93 8.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.492 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.77 140.44 42.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -69.71 -42.13 74.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -51.36 -20.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.492 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.9 m-85 -85.52 -32.39 22.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.832 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.9 pp -110.58 175.01 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.566 ' N ' HD12 ' A' ' 59' ' ' ILE . 6.3 tp10 -138.08 119.79 15.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mt -67.9 130.86 44.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 9' ' ' PRO . 50.7 mt -91.93 170.36 9.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.3 p -119.82 -177.0 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.75 83.47 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.75 3.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.3 p -52.31 142.37 17.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.3 m -66.08 -60.59 2.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -140.85 132.67 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -100.18 43.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.86 -116.29 0.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m 50.57 48.44 22.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -128.75 143.39 50.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 34' ' ' ILE . . . -136.75 -157.84 7.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.451 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -117.11 143.65 32.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.523 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.9 Cg_endo -69.73 123.17 9.85 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.691 2.26 . . . . 0.0 112.363 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.637 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -137.51 146.51 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.046 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -113.74 132.71 55.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -79.61 112.2 16.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 10.5 mmmt -69.27 -35.63 76.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 6.3 m-85 -133.59 170.69 15.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.75 115.46 23.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -92.56 155.66 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -124.38 107.51 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.66 117.86 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -69.22 -42.0 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.2 p -142.69 171.72 13.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' LYS . 14.0 mt -42.59 -47.41 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LEU . 7.0 tmtm? -37.93 -48.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -96.21 158.15 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.982 HD12 ' HD2' ' A' ' 25' ' ' PRO . 8.5 tp -121.52 131.82 24.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.596 0.713 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.982 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.84 140.41 42.33 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.49 HD13 ' CG2' ' A' ' 59' ' ' ILE . 84.1 mt -125.43 163.98 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 37.9 mt-30 -140.28 142.18 35.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -47.73 117.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.89 36.0 17.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.474 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 2.8 m-20 -106.67 128.17 53.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.836 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 mm -95.14 114.71 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.74 163.93 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -115.15 108.29 16.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.519 HG23 ' H ' ' A' ' 44' ' ' GLU . 54.4 mt -78.6 117.14 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -83.02 -44.3 15.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -144.57 145.67 31.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -89.79 113.82 25.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mm -62.78 -60.31 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -138.39 173.73 11.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -56.86 -18.06 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -129.72 24.33 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 86.2 m95 -143.46 155.16 44.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.441 ' CG ' HD13 ' A' ' 34' ' ' ILE . 33.3 m-85 -140.7 -179.91 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.519 ' H ' HG23 ' A' ' 34' ' ' ILE . 12.1 tt0 -153.9 119.2 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.28 -146.9 4.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -139.52 141.39 37.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.771 ' HB3' HD11 ' A' ' 24' ' ' LEU . 58.9 t60 -148.83 132.64 16.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 42.82 48.42 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.85 34.56 90.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.413 ' O ' HD13 ' A' ' 24' ' ' LEU . 34.9 ttt180 -137.32 118.97 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.44 132.06 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.58 -172.0 37.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 pt -109.77 161.83 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -162.92 152.44 12.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.6 Cg_endo -69.76 143.03 49.55 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.659 2.24 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -69.67 -43.79 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -47.32 -24.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 12.0 m-85 -82.56 -34.81 27.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.0 pp -110.24 -175.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.739 ' N ' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -149.33 145.21 26.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.423 ' C ' ' OE1' ' A' ' 60' ' ' GLU . 19.5 mt -86.22 115.98 24.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 9' ' ' PRO . 38.5 mt -69.54 161.97 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -151.62 158.62 43.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.15 -158.23 0.36 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.73 -175.15 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 1.7 t -34.66 140.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.1 p -168.79 155.33 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -85.03 84.26 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 p -62.13 94.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.53 -88.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -169.4 118.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.362 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -40.93 -62.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.67 177.82 45.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -128.13 144.37 51.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 132.34 23.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.489 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -143.32 154.71 44.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -126.06 133.17 51.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.6 105.2 7.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' TYR . 54.5 mtpt -59.36 -33.89 71.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -136.06 174.06 11.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.71 127.06 33.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -116.14 136.42 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -117.5 106.22 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.82 118.68 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -74.76 -36.91 62.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.1 p -131.63 162.13 31.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 tp -47.61 -48.33 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -38.35 -41.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -97.36 148.51 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.1 tp -108.53 131.95 21.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 147.76 63.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.381 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' A' ' 32' ' ' VAL . 16.2 mt -145.21 159.49 42.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -132.16 150.4 52.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -48.23 108.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.4 41.15 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -107.24 123.04 47.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 mm -85.14 114.74 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 26' ' ' LEU . 19.1 m -123.71 160.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -113.39 112.85 24.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.5 mt -84.85 110.43 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CD2' ' HA2' ' A' ' 45' ' ' GLY . 45.5 m-85 -77.94 -48.53 16.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -134.11 179.49 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -119.72 113.38 20.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.9 mm -67.62 -55.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -143.64 -179.88 6.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -60.36 -32.64 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -117.63 23.9 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.428 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 90.1 m95 -139.45 157.05 46.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -146.24 173.98 11.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -141.18 124.36 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.477 ' HA2' ' CD2' ' A' ' 35' ' ' TYR . . . -149.93 -154.26 6.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -137.81 142.96 40.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.481 ' CB ' HD21 ' A' ' 24' ' ' LEU . 50.8 t-80 -153.03 127.84 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 57.13 33.2 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.55 30.9 59.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HD3' HD12 ' A' ' 24' ' ' LEU . 16.3 ttt85 -133.73 124.32 26.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.812 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -100.97 125.32 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.99 -158.62 9.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 pt -125.24 159.43 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -160.17 152.63 17.45 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.79 142.08 46.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -71.1 -29.1 64.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -63.12 -14.35 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 13' ' ' LYS . 9.1 m-85 -95.96 -19.83 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.52 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.0 pp -121.25 174.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 59' ' ' ILE . 14.1 pt-20 -144.23 113.68 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.78 123.87 12.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.05 93.68 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.3 p -110.5 143.65 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.03 146.06 8.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.8 -42.47 3.34 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.634 2.223 . . . . 0.0 112.352 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' PRO . 9.1 t -37.53 152.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -155.41 138.32 15.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.6 m -57.58 90.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' SER . 85.4 p -36.11 124.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.02 159.59 20.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -127.87 130.24 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.0 m -99.82 -54.34 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.32 165.97 25.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -99.88 143.9 27.35 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.619 0.723 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.1 15.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -141.43 145.74 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -116.85 138.83 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . . . -81.32 110.77 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.167 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -69.73 -33.85 73.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -130.38 162.0 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.98 96.6 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -85.58 139.87 31.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.8 120.38 38.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.53 112.03 17.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.45 -37.98 89.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.7 p -147.23 -176.99 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.713 HD12 ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -56.27 -39.87 73.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -47.22 -40.48 16.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -98.1 168.62 10.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.494 HD12 ' CG ' ' A' ' 50' ' ' ARG . 11.7 tp -131.95 132.2 23.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.569 0.7 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.421 ' HD2' HD12 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.73 144.98 55.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.655 2.236 . . . . 0.0 112.386 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.678 HD11 ' CG ' ' A' ' 54' ' ' PHE . 35.6 mt -143.51 104.97 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -74.68 141.65 44.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -47.84 111.31 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.39 38.24 6.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -111.21 125.55 53.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mm -83.29 119.47 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' A' ' 26' ' ' LEU . 17.0 m -124.22 163.78 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -117.0 114.55 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.401 HG23 ' H ' ' A' ' 44' ' ' GLU . 67.5 mt -81.65 116.96 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -81.68 -38.02 26.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.522 ' HE3' HD13 ' A' ' 38' ' ' ILE . 51.5 pttt -152.07 163.04 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -102.74 113.72 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.629 HD11 ' OE1' ' A' ' 44' ' ' GLU . 13.0 mm -65.4 -61.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -134.86 175.85 9.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -60.81 -17.54 50.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -129.71 19.67 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -134.83 160.39 38.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.538 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 8.7 m-85 -143.04 179.46 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.629 ' OE1' HD11 ' A' ' 38' ' ' ILE . 8.5 tt0 -155.93 119.48 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.27 -152.25 5.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -130.01 152.9 48.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 50' ' ' ARG . 38.4 t-80 -164.48 133.69 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 41.28 47.55 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.37 31.88 80.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' CG ' HD12 ' A' ' 24' ' ' LEU . 12.6 tpp85 -134.79 136.0 42.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.0 t -116.47 143.04 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.07 -158.1 18.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.7 pt -124.21 156.31 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.678 ' CG ' HD11 ' A' ' 26' ' ' LEU . 18.3 p90 -158.27 150.68 17.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.68 138.3 37.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.538 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 12.1 ttt180 -64.01 -40.12 95.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -18.43 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.9 m-85 -89.05 -27.88 20.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.585 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.2 pp -116.44 -179.29 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.166 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.585 ' N ' HD12 ' A' ' 59' ' ' ILE . 12.5 pt-20 -139.01 149.62 44.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.9 mt -92.74 108.82 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 mt -75.61 130.75 39.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.7 t -116.64 112.38 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.09 -159.72 10.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.77 3.25 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.292 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.3 p -45.8 171.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 m -46.7 130.1 11.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -143.46 116.61 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 m 52.49 43.45 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.98 105.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -48.94 109.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -100.99 87.84 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.93 178.08 33.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -121.49 143.57 38.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.12 24.84 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.655 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -146.87 146.3 30.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -114.94 130.06 56.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -73.31 106.31 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 58' ' ' TYR . 35.8 mtmt -66.41 -40.61 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -129.78 164.13 24.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.63 123.14 25.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -107.5 144.81 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -120.9 106.19 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -68.09 113.59 5.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -57.45 -43.63 84.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.0 p -145.07 174.05 11.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -43.88 -47.29 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -40.01 -44.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.64 163.3 13.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.503 HD12 ' HD2' ' A' ' 25' ' ' PRO . 8.3 tp -123.2 130.95 24.37 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.503 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.75 151.76 69.17 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.529 HD11 ' CG ' ' A' ' 54' ' ' PHE . 24.2 mt -144.81 151.96 39.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.517 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 5.6 mt-30 -119.34 153.17 35.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -57.68 97.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.6 37.82 2.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.67 124.77 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mm -83.64 131.72 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.29 163.19 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -115.52 114.58 25.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mt -84.18 110.83 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -76.88 -47.98 19.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HE3' ' CD ' ' A' ' 44' ' ' GLU . 11.8 pttp -138.59 169.22 18.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -104.49 114.83 29.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 mm -68.8 -54.77 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -144.94 176.98 9.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -58.52 -24.74 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -125.75 24.15 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 80.3 m95 -138.67 159.84 41.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 18.3 m-85 -146.55 168.77 20.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' CD ' ' HE3' ' A' ' 36' ' ' LYS . 20.6 tt0 -135.91 123.56 22.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.75 -161.51 10.03 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -124.54 159.49 30.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.466 ' HB2' HD21 ' A' ' 24' ' ' LEU . 20.7 t-80 -163.31 117.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 51.76 41.53 29.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.08 33.9 61.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 21.8 ttm105 -139.43 123.43 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -106.02 141.49 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.68 -149.15 6.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.8 pt -134.09 148.89 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CG ' HD11 ' A' ' 26' ' ' LEU . 20.1 p90 -155.7 151.98 23.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.681 0.753 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.1 Cg_endo -69.71 148.71 66.01 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.511 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 59.3 ttt180 -73.91 -45.06 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.0 t -47.7 -28.54 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.52 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.6 m-85 -77.07 -34.85 57.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.655 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.3 pp -107.09 178.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.3 tp10 -143.53 114.45 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.45 121.32 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.55 133.96 36.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.5 t -162.74 156.31 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -166.02 -95.06 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 116.88 4.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 t -96.75 108.92 21.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.2 p -59.85 146.49 41.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -58.73 -62.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.855 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t -103.77 142.53 34.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.46 130.75 5.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -129.67 42.31 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -143.39 175.43 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.51 159.32 10.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -119.16 141.27 30.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.633 0.73 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 133.65 26.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.73 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -147.97 131.86 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -104.27 132.41 50.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -70.43 122.97 20.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -85.37 -39.21 17.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -128.26 156.47 42.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.9 136.56 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -120.45 166.43 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -143.37 106.82 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -71.8 93.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -50.96 -38.57 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 p -136.36 -177.01 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tp -62.36 -47.89 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -40.08 -39.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -94.78 168.49 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.6 HD21 ' HB3' ' A' ' 47' ' ' HIS . 5.0 tp -131.48 131.71 23.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 143.32 50.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.314 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.8 mt -135.77 158.5 44.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.57 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 37.2 mt-30 -123.4 143.07 50.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -52.01 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.76 41.9 2.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.802 ' OD1' HG13 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -112.15 133.89 54.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.842 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.8 mm -90.25 122.8 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.802 HG13 ' OD1' ' A' ' 30' ' ' ASP . 27.3 m -126.03 168.91 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -122.36 107.26 11.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.428 HD12 HD21 ' A' ' 61' ' ' LEU . 96.5 mt -77.71 109.49 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' HA2' ' A' ' 45' ' ' GLY . 52.0 m-85 -76.68 -48.85 17.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -132.9 176.58 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HG3' ' CE1' ' A' ' 43' ' ' TYR . 50.1 tt0 -118.08 116.08 26.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 mm -72.54 -63.47 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -136.78 177.23 8.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -63.49 -17.91 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -127.89 20.61 6.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 87.6 m95 -140.87 159.67 41.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 27.3 m-85 -149.41 177.53 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -147.95 128.0 13.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' A' ' 35' ' ' TYR . . . -154.84 -152.06 6.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.508 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 21.9 tt0 -126.92 148.43 50.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.895 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.6 ' HB3' HD21 ' A' ' 24' ' ' LEU . 39.2 t-80 -162.89 124.7 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 49.63 54.18 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.72 24.21 32.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -128.16 135.67 50.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.02 147.59 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.65 -155.62 20.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.1 pt -125.9 160.22 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -160.36 149.74 14.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.727 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.77 139.41 40.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -64.72 -44.91 88.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.86 -18.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.0 m-85 -89.25 -33.29 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.73 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.9 pp -108.75 173.13 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.508 ' N ' HD12 ' A' ' 59' ' ' ILE . 9.9 tp10 -135.4 110.91 9.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.428 HD21 HD12 ' A' ' 34' ' ' ILE . 15.6 mt -59.63 113.28 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.61 129.6 34.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.8 p -144.83 147.74 33.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.56 -94.43 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 103.17 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 t -68.87 -50.43 49.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.5 t -102.82 95.09 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t -72.08 83.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -79.12 146.91 32.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.46 -70.46 0.32 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 p -170.98 153.31 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m -102.41 130.61 49.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.8 163.65 4.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -106.12 143.85 27.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 142.26 47.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.733 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -161.0 132.69 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -102.01 132.82 47.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' CB ' ' OD2' ' A' ' 30' ' ' ASP . . . -71.62 119.43 15.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -74.48 -39.9 62.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -130.57 171.8 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.21 107.23 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 26' ' ' LEU . 83.7 t80 -88.6 146.11 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -114.29 118.82 34.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' A' ' 23' ' ' GLU . . . -81.81 112.22 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.66 -43.21 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.4 p -138.21 172.2 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.9 mt -49.07 -39.77 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.38 -44.02 16.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 75.5 mt-10 -96.98 146.24 25.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.474 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.7 tp -107.99 130.95 22.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.77 138.22 37.28 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD21 HG11 ' A' ' 32' ' ' VAL . 84.9 mt -132.43 141.45 48.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -111.56 151.49 28.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -59.65 113.14 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.65 30.03 6.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 12' ' ' ALA . 1.6 p30 -109.35 142.05 40.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 mm -108.05 115.67 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.433 HG11 HD21 ' A' ' 26' ' ' LEU . 34.5 m -119.91 168.16 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -118.23 115.1 24.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.9 mt -84.14 110.2 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -79.7 -45.08 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -142.43 169.99 16.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -112.14 113.04 25.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mm -62.35 -61.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -135.21 171.64 14.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -60.14 -12.54 8.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -129.69 18.63 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.4 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 82.2 m95 -142.13 161.81 37.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.571 ' CD2' ' HB3' ' A' ' 56' ' ' ARG . 6.9 m-85 -139.61 -177.94 5.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -150.56 122.69 8.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.13 -163.46 11.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HB2' HG22 ' A' ' 51' ' ' VAL . 39.0 tt0 -123.61 158.08 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.417 ' CB ' HD21 ' A' ' 24' ' ' LEU . 35.9 t-80 -162.73 124.82 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 43.91 45.08 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.77 24.33 77.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 18.4 ttm180 -128.27 116.77 20.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.409 HG22 ' HB2' ' A' ' 46' ' ' GLU . 81.9 t -103.81 124.04 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.95 -173.35 26.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.1 pt -107.58 150.64 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -156.22 154.21 26.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.2 Cg_endo -69.78 137.69 35.99 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HB3' ' CD2' ' A' ' 43' ' ' TYR . 17.6 ptt180 -71.42 -27.25 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.32 -6.36 13.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -99.97 -29.8 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.733 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.3 pp -109.86 168.23 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.063 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 9.2 pt-20 -131.35 118.58 20.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.18 119.02 8.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 mt -72.36 140.95 48.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 p -83.75 108.94 17.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.48 -158.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 144.88 55.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 t -118.68 179.34 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 t -170.69 130.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -113.25 137.39 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.347 . . . . 0.0 110.886 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 m -148.43 175.54 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.69 -173.91 15.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.535 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -130.97 125.8 34.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 m -42.51 -64.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.45 177.31 7.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -114.56 143.07 29.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.56 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.7 Cg_endo -69.76 144.95 55.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -156.63 135.49 11.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 8.6 ttp-105 -104.5 132.93 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.14 111.93 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -73.14 -36.44 66.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -136.32 163.97 29.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -76.27 115.97 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -105.92 112.87 26.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -91.01 116.01 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.99 109.88 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -69.57 -28.74 66.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 p -141.2 154.23 45.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.0 mt -46.65 -34.8 5.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -49.67 -39.31 36.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -95.98 159.14 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 47' ' ' HIS . 6.2 tp -116.63 130.94 24.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.717 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 142.55 48.09 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.493 HD11 ' CD2' ' A' ' 54' ' ' PHE . 91.9 mt -135.79 129.66 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -100.84 142.21 32.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -42.83 133.25 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.6 46.79 91.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 1.4 m-20 -111.96 131.11 55.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.834 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.6 mm -90.13 114.72 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.6 m -124.24 166.08 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -123.45 120.53 33.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.3 mt -86.69 114.58 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -83.73 -37.35 22.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.61 171.4 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -118.85 121.04 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 mm -73.74 -56.2 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.52 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -65.33 -6.05 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -131.13 12.72 5.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.516 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 91.3 m95 -137.89 167.15 22.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 5.6 m-85 -149.82 173.69 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.981 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -144.3 125.75 14.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.25 -155.46 7.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -132.75 147.72 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.472 ' HB3' HD21 ' A' ' 24' ' ' LEU . 38.2 t-80 -160.06 123.54 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 58.36 53.47 6.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.71 31.96 58.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -133.35 164.02 28.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.9 t -141.33 143.25 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.55 -146.12 5.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 pt -137.01 156.77 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' A' ' 26' ' ' LEU . 7.0 p90 -160.0 153.3 18.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.67 0.747 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.516 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.76 142.72 48.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 5.5 ptm180 -74.31 -17.69 60.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -2.11 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.445 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.8 m-85 -107.91 -27.01 10.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.698 HD12 ' C ' ' A' ' 59' ' ' ILE . 1.8 pp -108.27 170.9 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' HD12 ' A' ' 59' ' ' ILE . 12.0 tp10 -133.5 111.96 11.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.17 127.11 29.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 9' ' ' PRO . 38.0 mt -89.54 45.23 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.6 p -88.27 38.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.01 169.0 12.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 172.47 12.52 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.729 2.286 . . . . 0.0 112.362 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.6 p -128.76 172.48 11.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.1 t -111.17 109.38 19.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -160.67 142.81 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -88.06 94.88 9.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.55 130.32 10.27 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -78.95 82.22 5.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -46.42 144.67 2.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.79 172.36 1.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.425 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.489 ' HD2' ' CD2' ' A' ' 61' ' ' LEU . 6.6 ptp85 -116.94 153.2 49.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.4 66.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.75 128.35 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -97.28 134.67 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.0 110.72 17.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 26.2 mmmt -66.42 -36.71 83.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 4.2 m-85 -140.92 145.35 35.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -63.56 111.55 2.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CE1' ' CD ' ' A' ' 55' ' ' PRO . 80.5 t80 -88.48 149.81 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -116.89 114.26 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.14 112.2 19.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -65.6 -40.25 92.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.0 p -132.46 -175.42 3.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.38 -41.99 98.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 5.0 ttpm? -43.68 -42.14 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -95.65 160.84 14.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.547 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.4 tp -125.36 132.74 24.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.631 0.729 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.547 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.7 141.9 46.71 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD11 ' CG ' ' A' ' 54' ' ' PHE . 36.8 mt -129.13 159.55 35.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' HB2' ' CG ' ' A' ' 30' ' ' ASP . 57.6 mt-30 -131.59 137.98 48.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -49.16 113.56 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.71 36.41 6.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.498 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 1.1 m-20 -111.29 132.39 54.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.328 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.36 102.19 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.497 HG12 ' HB2' ' A' ' 47' ' ' HIS . 28.5 m -106.02 157.55 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -108.97 107.31 17.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mt -73.96 110.34 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -76.57 -48.83 18.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -145.17 178.79 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.533 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -112.56 130.75 55.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.7 mm -88.85 -46.27 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -152.08 177.38 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -65.08 -12.89 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.87 14.6 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -140.97 147.69 39.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -135.34 179.05 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -139.77 136.66 34.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.49 -156.06 8.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -133.18 150.33 52.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.497 ' HB2' HG12 ' A' ' 32' ' ' VAL . 44.2 t-80 -163.83 125.88 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 55.71 50.69 13.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.09 36.73 68.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -137.91 148.48 45.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.96 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.05 -171.47 40.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 pt -110.15 162.64 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CG ' HD11 ' A' ' 26' ' ' LEU . 11.5 p90 -160.2 151.34 15.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.75 138.54 38.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -38.98 92.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -15.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.2 m-85 -92.38 -30.25 15.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.2 pp -108.64 178.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.538 ' N ' HD12 ' A' ' 59' ' ' ILE . 11.6 tp10 -143.83 116.82 8.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 38.3 mt -62.48 106.66 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.35 -48.75 60.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.3 p -54.56 137.23 43.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.07 83.37 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 139.93 41.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.351 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -46.58 132.66 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 p 41.75 46.93 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -106.38 143.71 27.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.627 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.3 Cg_endo -69.82 127.97 15.31 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.53 143.83 28.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -109.8 135.61 50.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -73.55 108.74 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -69.23 -31.29 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -144.71 154.49 42.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.13 144.0 56.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -133.04 130.77 39.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -100.33 112.31 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.401 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -81.55 110.5 16.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.29 -45.41 80.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.4 p -129.04 178.76 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.8 mt -56.93 -49.47 75.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' LEU . 6.7 ttpm? -37.54 -43.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -97.38 155.07 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.77 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.6 tp -122.99 138.54 29.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.77 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.73 157.89 58.9 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.317 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.448 ' CD2' HG11 ' A' ' 32' ' ' VAL . 87.9 mt -150.39 159.81 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.665 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 22.9 mt-30 -133.73 143.93 48.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.34 94.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.71 -25.65 5.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.1 138.64 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.783 0.325 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.466 HD12 HD11 ' A' ' 62' ' ' LEU . 18.5 mm -96.64 148.41 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.587 HG12 ' HB2' ' A' ' 47' ' ' HIS . 30.0 m -141.91 167.04 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -121.12 109.99 15.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -80.05 113.79 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.205 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -80.51 -41.54 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -146.58 171.5 14.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -110.38 119.76 40.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mm -67.2 -61.57 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -137.4 -175.54 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -66.78 -18.05 65.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -128.19 20.68 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -138.9 164.13 30.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 14.3 m-85 -145.84 174.36 11.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -143.8 129.75 19.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 51' ' ' VAL . . . -158.34 -152.33 6.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -143.09 149.67 38.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.604 ' HB3' HD21 ' A' ' 24' ' ' LEU . 11.6 t-80 -163.04 118.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 65.6 54.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.33 32.89 45.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 28.1 ttt85 -137.39 139.48 40.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 45' ' ' GLY . 11.7 t -122.07 136.63 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.48 -153.89 8.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.7 pt -130.67 152.63 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 111.165 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -156.46 156.12 29.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.465 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.73 150.7 68.74 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 42.8 ptt85 -77.51 -18.95 56.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.451 HG22 ' H ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -75.13 -5.76 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.465 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.3 m-85 -103.65 -27.64 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.638 HD12 ' C ' ' A' ' 59' ' ' ILE . 1.9 pp -109.65 171.98 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' N ' HD12 ' A' ' 59' ' ' ILE . 14.7 tt0 -139.39 109.74 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.4 mt -56.62 106.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 9' ' ' PRO . 91.6 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -106.88 144.01 28.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.717 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 125.07 11.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.596 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -139.27 140.34 37.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HB2' HD11 ' A' ' 62' ' ' LEU . 33.9 ttp180 -107.59 140.64 40.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -81.19 115.0 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -76.46 -37.38 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -133.06 163.67 28.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.19 130.16 39.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -121.44 120.07 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -96.95 116.78 29.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.03 110.92 17.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.519 ' HG3' HG23 ' A' ' 20' ' ' THR . 7.2 pt20 -62.07 -44.8 95.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.519 HG23 ' HG3' ' A' ' 19' ' ' GLN . 9.3 p -137.54 175.97 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.4 tp -50.11 -50.97 46.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 21' ' ' LEU . 26.7 tttt -34.24 -44.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -100.83 159.56 15.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.804 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.1 tp -125.07 138.38 31.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.711 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.804 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.77 154.25 67.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.574 ' CD2' HG11 ' A' ' 32' ' ' VAL . 54.1 mt -148.13 113.29 5.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 6.8 tt0 -82.68 142.86 31.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -54.34 104.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.9 37.39 3.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.75 141.37 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.9 mm -94.81 118.08 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.574 HG11 ' CD2' ' A' ' 26' ' ' LEU . 35.2 m -122.37 156.03 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -113.67 115.6 28.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.418 HG21 ' CD1' ' A' ' 43' ' ' TYR . 20.8 mt -88.74 120.1 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -88.46 -41.97 12.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -136.54 169.34 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -115.15 103.39 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.427 HG22 ' OD1' ' A' ' 39' ' ' ASP . 36.3 mm -53.6 -67.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' HG22 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -134.23 -178.93 5.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -65.38 -16.69 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -127.72 21.09 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.486 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 83.2 m95 -142.36 161.57 37.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 17.8 m-85 -146.91 171.95 14.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.561 ' OE1' HG22 ' A' ' 53' ' ' ILE . 16.3 tp10 -140.77 126.91 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.9 -157.43 8.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -134.66 139.41 45.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.629 ' HB3' HD11 ' A' ' 24' ' ' LEU . 40.0 t-80 -140.24 116.04 10.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 51.0 53.81 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.67 36.52 92.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -137.95 115.91 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.4 t -97.37 126.55 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.71 168.57 39.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.561 HG22 ' OE1' ' A' ' 44' ' ' GLU . 9.6 pt -98.49 151.18 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CG ' HD11 ' A' ' 26' ' ' LEU . 12.5 p90 -154.74 154.86 29.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.69 148.3 65.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.433 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 46.9 ttp180 -76.0 -35.96 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.78 -11.21 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 14.5 m-85 -95.64 -29.97 14.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.596 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.2 pp -110.58 172.3 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 59' ' ' ILE . 11.9 tp10 -134.08 117.72 16.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.82 110.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 11' ' ' ARG . 26.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.51 143.27 26.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.723 . . . . 0.0 110.85 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 150.97 68.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.293 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.674 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -161.6 141.34 10.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -108.52 133.04 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.442 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -78.13 116.3 18.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -73.2 -45.6 55.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -120.78 179.88 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -90.51 133.26 35.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -125.8 128.26 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.08 130.99 47.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.57 111.61 23.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.24 -45.79 75.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.0 p -133.2 177.72 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 22' ' ' LYS . 36.2 mt -51.91 -48.93 63.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 21' ' ' LEU . 23.2 ttpt -36.8 -46.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -95.39 164.74 12.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.594 HD12 ' HD2' ' A' ' 25' ' ' PRO . 5.2 tp -134.25 136.17 25.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.594 ' HD2' HD12 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.74 143.84 52.23 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.634 HD11 ' CG ' ' A' ' 54' ' ' PHE . 60.0 mt -143.8 105.03 4.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.59 144.33 35.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -48.38 104.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.02 39.53 3.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.442 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 6.1 m-20 -110.24 133.5 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.5 mm -95.64 119.82 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.664 HG12 ' HB2' ' A' ' 47' ' ' HIS . 29.5 m -125.75 167.92 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -118.8 110.67 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.3 mt -76.52 111.57 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.186 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -83.34 -47.71 11.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.58 174.14 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -116.03 107.57 15.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.0 mm -61.53 -59.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -138.72 -177.09 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -69.43 -14.06 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -130.74 19.09 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 86.0 m95 -136.99 167.74 20.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 10.0 m-85 -151.49 168.93 23.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -139.0 124.51 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.59 -161.27 10.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' OE1' ' C ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -125.34 153.42 43.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.374 . . . . 0.0 110.842 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.664 ' HB2' HG12 ' A' ' 32' ' ' VAL . 39.4 t-80 -164.66 130.55 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 45.91 48.85 12.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.37 30.07 73.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.594 ' HG2' HD12 ' A' ' 24' ' ' LEU . 7.3 tpp85 -131.1 141.82 50.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.2 t -122.76 137.71 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.22 -165.92 33.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.6 pt -113.49 158.56 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.634 ' CG ' HD11 ' A' ' 26' ' ' LEU . 26.4 p90 -162.89 148.93 10.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.77 143.05 49.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 18.4 ttt180 -70.34 -43.0 71.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -49.34 -25.45 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.7 m-85 -80.02 -33.38 39.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.674 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.9 pp -107.2 174.72 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.534 ' N ' HD12 ' A' ' 59' ' ' ILE . 17.3 tp10 -141.31 115.11 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.4 138.68 56.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -115.44 143.56 30.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 123.8 10.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.625 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -133.1 139.09 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.074 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HB2' HD11 ' A' ' 62' ' ' LEU . 59.6 ttt180 -111.84 132.8 54.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 119.11 14.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -79.43 -37.69 36.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -133.82 174.06 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -81.14 126.6 31.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -119.67 123.01 42.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -99.45 101.06 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.438 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -54.45 109.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -55.21 -45.69 75.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.9 p -143.31 173.43 11.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.5 tp -45.78 -44.33 13.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -42.51 -45.63 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -95.87 161.47 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.779 HD21 ' HB3' ' A' ' 47' ' ' HIS . 6.9 tp -121.52 135.9 25.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.644 0.735 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.599 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.82 148.6 65.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.69 2.26 . . . . 0.0 112.298 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.481 HD11 ' CG ' ' A' ' 54' ' ' PHE . 17.8 mt -140.38 139.03 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -108.74 142.37 39.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -49.38 107.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.6 39.17 4.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -110.79 137.52 48.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.7 mm -93.14 132.24 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.506 HG23 ' HB3' ' A' ' 10' ' ' ALA . 22.1 m -141.34 163.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -118.9 110.98 17.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -79.84 110.04 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.402 ' OH ' ' CB ' ' A' ' 46' ' ' GLU . 24.7 m-85 -77.6 -40.47 42.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -146.6 177.58 8.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -117.76 110.6 18.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mm -59.45 -60.07 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -136.25 -176.54 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -18.43 65.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -128.74 25.25 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 79.9 m95 -139.61 167.68 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 14.9 m-85 -153.92 161.11 42.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -131.62 126.16 34.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.57 -161.15 10.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' CB ' ' OH ' ' A' ' 35' ' ' TYR . 26.5 tt0 -125.49 152.1 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.779 ' HB3' HD21 ' A' ' 24' ' ' LEU . 58.1 t-80 -158.68 127.33 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.0 t60 50.68 34.81 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.07 17.54 78.14 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.459 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 16.1 ttm180 -124.12 121.44 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.12 130.93 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.79 -166.5 21.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 pt -117.21 155.93 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.481 ' CG ' HD11 ' A' ' 26' ' ' LEU . 10.9 p90 -161.54 153.78 16.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.659 0.742 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.8 144.82 55.05 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.547 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 24.5 ttp85 -73.19 -30.14 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -63.37 -7.5 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.483 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 13.0 m-85 -103.14 -27.6 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.747 HD12 ' N ' ' A' ' 60' ' ' GLU . 1.8 pp -107.65 -178.45 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.747 ' N ' HD12 ' A' ' 59' ' ' ILE . 15.7 tt0 -151.47 113.04 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.5 mt -53.78 130.66 37.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 11' ' ' ARG . 55.0 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -125.8 143.92 46.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.11 11.75 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.295 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -135.42 146.77 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -120.1 133.06 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.54 116.11 19.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 2.0 mmmm -73.39 -35.07 65.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 4.3 m-85 -134.0 171.93 13.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.2 135.01 35.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -129.23 133.41 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -105.12 119.53 39.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -79.56 102.11 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.57 -42.79 64.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.2 p -145.66 175.33 10.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.22 -46.6 9.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -39.38 -49.08 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -94.75 163.93 13.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.603 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.7 tp -127.68 134.83 26.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 135.84 31.5 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.392 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.529 HD11 ' CG ' ' A' ' 54' ' ' PHE . 38.3 mt -132.05 133.49 44.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -105.48 141.93 36.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -46.36 118.73 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.89 41.61 12.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.401 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -111.32 137.18 49.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.0 mm -93.53 122.03 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 10' ' ' ALA . 17.2 m -126.14 161.37 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -117.01 109.32 16.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.3 mt -77.01 116.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -82.96 -42.82 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -141.68 179.08 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -119.75 105.24 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mm -60.41 -56.14 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -138.44 -179.0 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.61 -23.07 66.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -123.76 14.53 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.411 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 84.3 m95 -129.42 157.44 41.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -144.3 175.11 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -147.88 122.07 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.87 -150.98 5.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.498 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -132.02 148.8 52.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.603 ' CB ' HD21 ' A' ' 24' ' ' LEU . 16.4 t-80 -158.7 117.56 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 59.65 42.79 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.7 30.32 76.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.473 ' HB3' HD11 ' A' ' 24' ' ' LEU . 21.7 ttt180 -134.04 138.62 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.85 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.4 t -114.03 143.35 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.62 -161.66 25.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.1 pt -123.42 152.67 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CG ' HD11 ' A' ' 26' ' ' LEU . 12.1 p90 -153.42 148.55 19.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.748 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.55 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.3 Cg_endo -69.77 139.42 40.16 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -64.39 -42.25 96.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -18.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.55 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 8.9 m-85 -89.25 -32.64 17.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.645 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.3 pp -109.95 -175.27 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.645 ' N ' HD12 ' A' ' 59' ' ' ILE . 19.6 pt-20 -145.55 133.24 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.0 mt -75.35 97.78 3.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -128.53 143.61 48.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.656 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.7 144.28 53.81 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.607 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -158.7 134.09 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CZ ' ' HA2' ' A' ' 29' ' ' GLY . 12.4 ttt-85 -101.69 129.59 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 59' ' ' ILE . . . -74.07 112.26 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -71.53 -35.06 70.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -129.44 173.11 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.63 109.11 20.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.654 ' CE2' ' CD ' ' A' ' 55' ' ' PRO . 43.5 t80 -90.45 142.19 27.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -116.26 117.73 30.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -86.53 109.1 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -66.69 -41.57 87.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.7 p -134.06 168.06 19.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.6 tt -47.44 -48.5 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -37.56 -40.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -101.58 157.83 16.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.773 HD12 ' HD2' ' A' ' 25' ' ' PRO . 8.8 tp -121.48 134.66 24.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.773 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.76 152.4 69.3 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.666 HD11 ' CB ' ' A' ' 54' ' ' PHE . 8.4 mt -145.02 128.82 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -97.46 143.31 28.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -53.27 111.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' A' ' 11' ' ' ARG . . . 92.92 37.33 5.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 1.7 m-20 -112.01 128.08 56.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.0 mm -87.88 111.93 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 m -114.07 166.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.183 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -119.47 110.48 16.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.478 HG21 ' CD1' ' A' ' 43' ' ' TYR . 28.5 mt -78.95 111.74 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -76.27 -47.36 24.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -146.29 162.9 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 37.7 tt0 -97.38 125.54 42.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.8 mm -79.05 -61.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -134.25 -179.27 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -64.0 -18.68 64.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -130.65 22.47 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -138.04 161.68 36.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 12.7 m-85 -144.64 -179.93 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -146.42 125.02 12.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.72 -167.07 17.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 1.6 tm-20 -120.23 151.22 39.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.452 ' CB ' HD21 ' A' ' 24' ' ' LEU . 22.2 t-80 -161.98 128.28 3.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 24.8 t-80 50.32 53.78 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.51 34.25 59.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.473 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -136.61 158.78 43.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.69 144.84 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.57 -165.42 35.7 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.7 pt -116.01 155.95 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.666 ' CB ' HD11 ' A' ' 26' ' ' LEU . 15.2 p90 -157.82 150.75 18.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.654 ' CD ' ' CE2' ' A' ' 16' ' ' PHE . 53.8 Cg_endo -69.76 133.56 25.88 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.534 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 5.3 ptm180 -61.69 -42.37 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.1 p -48.43 -23.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 8.6 m-85 -81.51 -30.96 33.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.607 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.4 pp -109.99 -176.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.576 ' N ' HD12 ' A' ' 59' ' ' ILE . 5.4 tp10 -147.12 114.38 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.76 120.83 10.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.656 HD12 ' HB2' ' A' ' 9' ' ' PRO . 44.3 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -116.62 143.42 31.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.79 128.22 15.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.836 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -137.28 142.71 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -115.82 132.87 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.9 118.53 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -77.23 -33.6 56.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -127.74 175.73 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.66 99.66 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CE1' ' CD ' ' A' ' 55' ' ' PRO . 74.5 t80 -87.55 134.95 33.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.93 120.74 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 23' ' ' GLU . . . -84.88 105.44 15.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -63.41 -39.76 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.2 p -135.19 168.79 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' LYS . 34.8 tp -49.5 -49.15 46.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LEU . 14.5 mmmt -37.6 -41.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.423 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 12.7 mt-10 -99.27 149.73 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.766 HD21 ' CB ' ' A' ' 47' ' ' HIS . 14.9 tp -112.45 133.92 21.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.721 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.79 144.81 55.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.598 HD11 ' CG ' ' A' ' 54' ' ' PHE . 28.1 mt -140.29 128.3 22.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -98.24 144.77 27.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -50.08 107.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.43 34.04 6.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.466 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 5.6 m-20 -106.57 137.91 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.666 HD12 HD11 ' A' ' 62' ' ' LEU . 50.2 mm -95.88 130.56 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.56 164.96 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -117.52 114.74 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.9 mt -84.1 108.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -78.65 -45.84 20.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -135.65 174.03 11.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -118.91 113.71 21.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.417 HG13 ' CG2' ' A' ' 53' ' ' ILE . 19.9 mm -67.32 -65.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -130.46 -179.52 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -65.42 -19.68 66.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -124.81 20.07 8.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.541 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 91.4 m95 -138.92 163.68 31.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 21.5 m-85 -147.46 -178.55 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -147.29 127.08 13.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.04 -156.55 8.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.447 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -126.08 153.05 45.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.766 ' CB ' HD21 ' A' ' 24' ' ' LEU . 12.0 t-80 -164.55 124.24 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 23.7 t-160 60.03 42.25 16.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.75 33.14 86.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -134.95 172.52 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.2 t -140.56 142.1 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.83 -171.51 44.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.417 ' CG2' HG13 ' A' ' 38' ' ' ILE . 19.9 pt -113.56 155.28 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CG ' HD11 ' A' ' 26' ' ' LEU . 2.6 p90 -154.07 155.2 30.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.541 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.4 Cg_endo -69.76 135.75 31.26 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.527 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 27.9 ttt85 -66.73 -41.86 87.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.576 HG23 ' HD1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -52.94 -17.48 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.169 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.576 ' HD1' HG23 ' A' ' 57' ' ' THR . 7.6 m-85 -88.26 -32.71 18.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.836 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.8 pp -111.63 178.8 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.688 ' N ' HD12 ' A' ' 59' ' ' ILE . 17.6 pt-20 -146.86 129.32 15.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.31 112.73 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.666 HD11 HD12 ' A' ' 31' ' ' ILE . 69.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -123.37 144.18 43.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.702 ' HB2' HD12 ' A' ' 62' ' ' LEU . 54.0 Cg_endo -69.76 128.5 16.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -141.05 132.83 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -103.45 143.63 32.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -86.69 106.39 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -65.57 -35.14 79.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -133.3 172.41 12.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -83.99 130.6 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -116.61 142.55 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -116.01 119.76 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.11 111.74 23.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.047 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -68.34 -39.58 81.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -141.12 175.27 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 22' ' ' LYS . 13.6 tp -48.23 -49.42 33.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 21' ' ' LEU . 5.6 tmtm? -35.0 -49.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -98.03 155.91 16.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.87 HD12 ' HD2' ' A' ' 25' ' ' PRO . 10.6 tp -119.1 133.36 23.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.87 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.3 Cg_endo -69.79 135.7 31.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.641 2.227 . . . . 0.0 112.318 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' A' ' 54' ' ' PHE . 35.5 mt -128.08 155.98 43.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 30.2 mt-30 -131.36 144.79 51.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -52.88 114.08 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.84 28.89 17.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.439 ' CG ' ' HB2' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -103.89 124.0 48.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.4 mm -84.25 122.33 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.497 HG23 ' HB3' ' A' ' 10' ' ' ALA . 35.4 m -125.49 161.59 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -115.5 112.64 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.526 HG21 ' CD1' ' A' ' 43' ' ' TYR . 16.5 mt -86.79 121.14 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -87.72 -43.85 11.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.675 ' HE3' HD13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -145.97 162.53 37.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -98.41 115.74 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.675 HD13 ' HE3' ' A' ' 36' ' ' LYS . 5.1 mm -65.18 -64.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -128.97 -178.09 4.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -67.16 -15.54 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -132.89 23.65 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.438 ' CE3' HD12 ' A' ' 53' ' ' ILE . 65.7 m95 -140.51 168.73 19.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.526 ' CD1' HG21 ' A' ' 34' ' ' ILE . 20.8 m-85 -148.38 175.39 11.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -143.63 122.42 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.33 -162.21 11.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 40.1 tt0 -123.2 158.74 30.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.436 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 55.0 t-80 -163.01 110.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.402 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 12.1 t-80 58.06 44.69 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.86 28.58 70.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -133.83 124.53 26.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.7 t -108.74 134.0 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.22 -154.43 8.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.438 HD12 ' CE3' ' A' ' 42' ' ' TRP . 10.9 pt -128.27 161.09 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.474 ' CG ' HD11 ' A' ' 26' ' ' LEU . 9.6 p90 -164.88 149.77 8.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.77 137.12 34.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 6.4 tmm_? -59.36 -48.29 82.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.5 p -44.92 -30.79 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.2 m-85 -74.74 -36.8 62.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.5 pp -108.2 -175.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.555 ' N ' HD12 ' A' ' 59' ' ' ILE . 14.4 pt-20 -150.16 127.27 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.29 117.33 9.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.702 HD12 ' HB2' ' A' ' 9' ' ' PRO . 20.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -108.94 144.16 29.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.58 17.84 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.25 148.95 33.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.497 ' HB2' HD11 ' A' ' 62' ' ' LEU . 54.2 ttp180 -117.79 130.17 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -76.31 110.5 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.47 -38.81 92.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.439 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -131.11 163.64 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.45 105.8 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -90.84 139.55 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -107.9 128.11 54.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.34 128.24 42.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -85.7 -33.64 21.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -140.81 174.8 10.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 mp -51.64 -46.95 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ILE . 11.7 tppt? -41.13 -43.27 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -96.89 157.88 15.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.826 HD12 ' HD2' ' A' ' 25' ' ' PRO . 13.5 tp -126.28 132.91 24.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.826 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.78 133.18 24.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 54' ' ' PHE . 40.0 mt -125.99 152.96 45.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.523 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 41.7 mm-40 -123.94 158.99 30.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -62.54 109.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.1 43.97 5.19 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.35 133.45 54.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.6 mm -94.98 114.46 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.93 165.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -118.7 110.47 17.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.7 mt -78.79 112.34 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -78.21 -42.13 32.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -145.83 175.64 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -117.9 118.33 31.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.9 mm -71.9 -60.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -131.08 177.3 7.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -66.23 -13.68 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -129.03 12.31 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.437 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 78.7 m95 -130.07 162.23 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 19.3 m-85 -147.08 175.96 10.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -149.38 129.15 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.8 -145.61 4.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -140.34 148.42 41.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.471 ' CB ' HD21 ' A' ' 24' ' ' LEU . 49.5 t-80 -161.9 126.6 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.7 m170 54.35 42.85 31.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.28 32.07 82.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.46 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 22.2 ttm-85 -134.6 134.86 41.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.0 t -114.7 133.43 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.68 -155.95 9.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' LYS . 11.0 pt -128.18 156.7 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 111.148 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.532 ' CG ' HD11 ' A' ' 26' ' ' LEU . 7.2 p90 -157.87 153.84 23.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.543 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.78 144.65 54.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 2.8 tpt180 -69.61 -44.99 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -19.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.8 m-85 -86.63 -30.64 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.499 HD12 ' C ' ' A' ' 59' ' ' ILE . 2.3 pp -112.05 171.63 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' OE2' ' NH2' ' A' ' 11' ' ' ARG . 8.0 pt-20 -135.23 118.31 16.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.57 108.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 11' ' ' ARG . 17.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -121.6 143.21 37.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.4 19.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.634 2.223 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.571 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -142.9 131.74 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -101.4 130.86 47.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.83 112.55 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -72.98 -37.87 66.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -132.01 165.13 24.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.93 105.38 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -89.95 146.11 24.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -119.19 124.7 47.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.17 114.36 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.23 -43.98 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.7 p -127.1 179.11 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 mp -58.04 -47.7 82.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -38.96 -42.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -97.05 153.34 17.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.761 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.5 tp -121.36 133.27 24.16 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 142.94 49.21 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.8 mt -134.2 124.17 25.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -91.11 144.22 25.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -50.42 104.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.08 44.84 3.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.499 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -111.09 134.92 52.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.1 mm -93.39 114.86 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.1 m -123.57 162.58 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -116.49 110.7 18.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.57 HG21 ' CD1' ' A' ' 43' ' ' TYR . 24.6 mt -81.69 113.26 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -80.15 -45.3 18.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -141.72 170.31 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -112.46 114.66 27.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.443 HG13 ' CG2' ' A' ' 53' ' ' ILE . 30.4 mm -62.8 -65.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -130.18 174.88 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 29.7 tp60 -61.61 -13.26 20.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -129.34 13.21 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -134.7 164.23 27.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CD1' HG21 ' A' ' 34' ' ' ILE . 12.4 m-85 -143.65 -178.79 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -150.92 123.58 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.97 -157.21 7.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HB2' HG22 ' A' ' 51' ' ' VAL . 20.5 tt0 -128.12 156.53 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.761 ' CB ' HD21 ' A' ' 24' ' ' LEU . 23.4 t-80 -163.55 122.16 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t60 51.09 42.82 29.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.85 22.5 78.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.403 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 19.5 ttm180 -128.93 120.04 25.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' A' ' 46' ' ' GLU . 75.2 t -101.5 126.96 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.9 179.93 35.12 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.443 ' CG2' HG13 ' A' ' 38' ' ' ILE . 22.7 pt -101.8 159.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.165 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -165.18 155.16 11.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.58 42.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.524 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 31.1 ptt180 -70.34 -40.58 74.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.436 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 14.9 t -51.19 -24.85 4.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -79.99 -31.03 39.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.571 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.3 pp -109.64 176.82 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 59' ' ' ILE . 11.7 tt0 -146.04 110.8 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.1 mt -54.4 118.55 4.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.8 mtm-85 -111.99 143.05 27.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 122.66 9.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.288 . . . . 0.0 112.311 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -143.42 147.11 34.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -115.29 137.06 52.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.33 111.33 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 58' ' ' TYR . 14.8 mmmt -68.95 -31.77 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -136.46 166.57 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -81.73 113.12 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 17' ' ' LYS . 26.7 t80 -102.04 150.32 23.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 21.9 pttp -124.65 122.53 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -91.25 114.9 27.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.78 -34.3 66.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 p -140.05 174.49 10.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 mp -50.86 -47.08 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -39.14 -42.84 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -100.26 159.46 15.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.681 HD12 ' HD2' ' A' ' 25' ' ' PRO . 4.9 tp -124.71 133.01 24.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.609 0.718 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.681 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.76 133.74 26.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.342 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.603 ' CD2' HG11 ' A' ' 32' ' ' VAL . 76.9 mt -133.18 143.42 49.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -114.41 143.13 45.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -55.12 119.38 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.66 -26.91 22.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.77 151.92 37.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.621 HD12 HD11 ' A' ' 62' ' ' LEU . 7.3 mm -112.8 138.0 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.603 HG11 ' CD2' ' A' ' 26' ' ' LEU . 3.9 m -132.7 172.0 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -121.45 114.71 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.1 mt -84.2 115.17 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -82.92 -46.05 13.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -137.53 177.69 7.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -119.18 103.62 9.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.66 -67.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -128.99 -179.02 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.438 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 58.7 mt-30 -65.0 -13.66 58.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -131.64 15.21 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 78.1 m95 -132.18 158.08 42.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 56' ' ' ARG . 12.7 m-85 -140.13 178.79 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -146.46 124.19 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.71 -172.88 20.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -124.54 145.92 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -161.0 125.53 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 59.77 44.05 14.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.5 21.35 64.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.497 ' HG2' HD12 ' A' ' 24' ' ' LEU . 9.6 tpt180 -123.35 143.09 50.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.3 t -127.11 142.75 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.92 -155.95 14.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.5 pt -128.19 150.39 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CG ' HD11 ' A' ' 26' ' ' LEU . 4.8 p90 -152.97 152.82 28.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.746 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.76 128.51 16.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HB3' ' CD2' ' A' ' 43' ' ' TYR . 26.7 ptt180 -57.4 -19.04 20.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 p -71.03 -22.54 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.516 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.4 m-85 -88.25 -22.71 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.2 pp -117.56 175.68 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' HD12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -143.97 137.9 28.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.7 mt -79.25 104.08 9.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.621 HD11 HD12 ' A' ' 31' ' ' ILE . 8.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -108.53 143.88 28.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.564 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.9 Cg_endo -69.75 141.53 45.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.832 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -149.84 129.67 13.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -98.37 124.73 43.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -70.82 113.82 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -69.92 -33.41 72.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -140.1 155.63 46.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -67.14 128.32 35.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -110.91 140.87 45.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -115.33 115.17 26.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -84.37 113.14 20.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -69.13 -37.48 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -137.56 177.58 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 tp -55.43 -44.58 76.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.04 -44.55 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -95.54 163.2 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.766 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.6 tp -125.87 132.43 24.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.672 0.749 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.63 63.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.362 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mt -147.06 165.58 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 48.5 mt-30 -134.33 155.56 50.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -57.03 101.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.88 44.23 2.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.11 137.0 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 mm -94.01 118.29 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 m -125.6 158.08 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -113.73 112.3 23.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.422 HG21 ' CD1' ' A' ' 43' ' ' TYR . 13.8 mt -84.64 117.07 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -85.32 -41.07 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -140.97 174.24 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -115.88 107.9 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.404 HG13 ' CG2' ' A' ' 53' ' ' ILE . 25.7 mm -58.09 -60.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -139.65 176.08 9.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -63.58 -11.66 26.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -131.47 19.94 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.476 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 88.3 m95 -142.54 170.18 16.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 22.4 m-85 -152.14 176.78 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -144.54 124.06 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.18 -162.49 11.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -124.31 151.33 44.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.766 ' CB ' HD21 ' A' ' 24' ' ' LEU . 52.0 t-80 -157.08 108.3 2.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 61.39 54.02 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.03 26.18 65.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HB3' HD11 ' A' ' 24' ' ' LEU . 19.2 ttm-85 -130.83 123.81 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.843 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.0 t -106.86 134.34 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.87 -169.78 34.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.404 ' CG2' HG13 ' A' ' 38' ' ' ILE . 8.4 pt -109.19 162.66 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -165.49 151.93 8.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.492 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.77 140.44 42.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -69.71 -42.13 74.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -51.36 -20.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.492 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.9 m-85 -85.52 -32.39 22.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.832 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.9 pp -110.58 175.01 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.566 ' N ' HD12 ' A' ' 59' ' ' ILE . 6.3 tp10 -138.08 119.79 15.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mt -67.9 130.86 44.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 9' ' ' PRO . 50.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 34' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -117.11 143.65 32.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.523 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.9 Cg_endo -69.73 123.17 9.85 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.691 2.26 . . . . 0.0 112.363 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.637 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -137.51 146.51 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.046 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -113.74 132.71 55.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -79.61 112.2 16.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 10.5 mmmt -69.27 -35.63 76.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 6.3 m-85 -133.59 170.69 15.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.75 115.46 23.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -92.56 155.66 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -124.38 107.51 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.66 117.86 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -69.22 -42.0 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.2 p -142.69 171.72 13.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' LYS . 14.0 mt -42.59 -47.41 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LEU . 7.0 tmtm? -37.93 -48.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -96.21 158.15 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.982 HD12 ' HD2' ' A' ' 25' ' ' PRO . 8.5 tp -121.52 131.82 24.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.596 0.713 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.982 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.84 140.41 42.33 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.49 HD13 ' CG2' ' A' ' 59' ' ' ILE . 84.1 mt -125.43 163.98 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 37.9 mt-30 -140.28 142.18 35.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -47.73 117.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.89 36.0 17.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 2.8 m-20 -106.67 128.17 53.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.836 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 mm -95.14 114.71 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.74 163.93 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -115.15 108.29 16.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.519 HG23 ' H ' ' A' ' 44' ' ' GLU . 54.4 mt -78.6 117.14 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -83.02 -44.3 15.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -144.57 145.67 31.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -89.79 113.82 25.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mm -62.78 -60.31 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -138.39 173.73 11.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -56.86 -18.06 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -129.72 24.33 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 86.2 m95 -143.46 155.16 44.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.441 ' CG ' HD13 ' A' ' 34' ' ' ILE . 33.3 m-85 -140.7 -179.91 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.519 ' H ' HG23 ' A' ' 34' ' ' ILE . 12.1 tt0 -153.9 119.2 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.28 -146.9 4.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -139.52 141.39 37.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.771 ' HB3' HD11 ' A' ' 24' ' ' LEU . 27.6 t-80 -148.83 132.64 16.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 42.82 48.42 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.85 34.56 90.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.413 ' O ' HD13 ' A' ' 24' ' ' LEU . 34.9 ttt180 -137.32 118.97 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.44 132.06 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.58 -172.0 37.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 pt -109.77 161.83 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -162.92 152.44 12.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.6 Cg_endo -69.76 143.03 49.55 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.659 2.24 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -69.67 -43.79 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -47.32 -24.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 12.0 m-85 -82.56 -34.81 27.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.0 pp -110.24 -175.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.739 ' N ' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -149.33 145.21 26.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.423 ' C ' ' OE1' ' A' ' 60' ' ' GLU . 19.5 mt -86.22 115.98 24.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 9' ' ' PRO . 38.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -128.13 144.37 51.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 132.34 23.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.489 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -143.32 154.71 44.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -126.06 133.17 51.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.6 105.2 7.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' TYR . 54.5 mtpt -59.36 -33.89 71.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -136.06 174.06 11.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.71 127.06 33.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -116.14 136.42 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -117.5 106.22 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.82 118.68 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -74.76 -36.91 62.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.1 p -131.63 162.13 31.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 tp -47.61 -48.33 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -38.35 -41.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -97.36 148.51 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.1 tp -108.53 131.95 21.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 147.76 63.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.381 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' A' ' 32' ' ' VAL . 16.2 mt -145.21 159.49 42.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -132.16 150.4 52.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -48.23 108.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.4 41.15 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -107.24 123.04 47.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 mm -85.14 114.74 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 26' ' ' LEU . 19.1 m -123.71 160.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -113.39 112.85 24.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.5 mt -84.85 110.43 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CD2' ' HA2' ' A' ' 45' ' ' GLY . 45.5 m-85 -77.94 -48.53 16.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -134.11 179.49 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -119.72 113.38 20.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.9 mm -67.62 -55.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -143.64 -179.88 6.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -60.36 -32.64 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -117.63 23.9 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.428 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 90.1 m95 -139.45 157.05 46.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -146.24 173.98 11.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -141.18 124.36 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.477 ' HA2' ' CD2' ' A' ' 35' ' ' TYR . . . -149.93 -154.26 6.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -137.81 142.96 40.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.481 ' CB ' HD21 ' A' ' 24' ' ' LEU . 50.8 t-80 -153.03 127.84 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 57.13 33.2 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.55 30.9 59.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HD3' HD12 ' A' ' 24' ' ' LEU . 16.3 ttt85 -133.73 124.32 26.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.812 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -100.97 125.32 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.99 -158.62 9.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 pt -125.24 159.43 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -160.17 152.63 17.45 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.79 142.08 46.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -71.1 -29.1 64.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -63.12 -14.35 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 13' ' ' LYS . 9.1 m-85 -95.96 -19.83 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.52 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.0 pp -121.25 174.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 59' ' ' ILE . 14.1 pt-20 -144.23 113.68 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.78 123.87 12.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.861 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -99.88 143.9 27.35 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.619 0.723 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.1 15.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.49 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -141.43 145.74 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -116.85 138.83 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . . . -81.32 110.77 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.167 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -69.73 -33.85 73.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -130.38 162.0 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.98 96.6 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -85.58 139.87 31.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.8 120.38 38.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.53 112.03 17.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.45 -37.98 89.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.7 p -147.23 -176.99 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.713 HD12 ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -56.27 -39.87 73.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -47.22 -40.48 16.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -98.1 168.62 10.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.494 HD12 ' CG ' ' A' ' 50' ' ' ARG . 11.7 tp -131.95 132.2 23.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.569 0.7 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.421 ' HD2' HD12 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.73 144.98 55.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.655 2.236 . . . . 0.0 112.386 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.678 HD11 ' CG ' ' A' ' 54' ' ' PHE . 35.6 mt -143.51 104.97 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -74.68 141.65 44.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -47.84 111.31 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.39 38.24 6.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -111.21 125.55 53.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mm -83.29 119.47 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' A' ' 26' ' ' LEU . 17.0 m -124.22 163.78 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -117.0 114.55 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.401 HG23 ' H ' ' A' ' 44' ' ' GLU . 67.5 mt -81.65 116.96 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -81.68 -38.02 26.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.522 ' HE3' HD13 ' A' ' 38' ' ' ILE . 51.5 pttt -152.07 163.04 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -102.74 113.72 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.629 HD11 ' OE1' ' A' ' 44' ' ' GLU . 13.0 mm -65.4 -61.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -134.86 175.85 9.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -60.81 -17.54 50.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -129.71 19.67 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -134.83 160.39 38.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.538 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 8.7 m-85 -143.04 179.46 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.629 ' OE1' HD11 ' A' ' 38' ' ' ILE . 8.5 tt0 -155.93 119.48 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.27 -152.25 5.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -130.01 152.9 48.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 50' ' ' ARG . 38.4 t-80 -164.48 133.69 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 41.28 47.55 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.37 31.88 80.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' CG ' HD12 ' A' ' 24' ' ' LEU . 12.6 tpp85 -134.79 136.0 42.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.0 t -116.47 143.04 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.07 -158.1 18.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.7 pt -124.21 156.31 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.678 ' CG ' HD11 ' A' ' 26' ' ' LEU . 18.3 p90 -158.27 150.68 17.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.68 138.3 37.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.538 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 12.1 ttt180 -64.01 -40.12 95.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -18.43 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.9 m-85 -89.05 -27.88 20.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.585 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.2 pp -116.44 -179.29 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.166 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.585 ' N ' HD12 ' A' ' 59' ' ' ILE . 12.5 pt-20 -139.01 149.62 44.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.9 mt -92.74 108.82 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.878 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -121.49 143.57 38.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.12 24.84 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.655 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -146.87 146.3 30.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -114.94 130.06 56.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -73.31 106.31 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 58' ' ' TYR . 35.8 mtmt -66.41 -40.61 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -129.78 164.13 24.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.63 123.14 25.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -107.5 144.81 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -120.9 106.19 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -68.09 113.59 5.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -57.45 -43.63 84.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.0 p -145.07 174.05 11.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -43.88 -47.29 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -40.01 -44.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.64 163.3 13.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.503 HD12 ' HD2' ' A' ' 25' ' ' PRO . 8.3 tp -123.2 130.95 24.37 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.503 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.75 151.76 69.17 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.529 HD11 ' CG ' ' A' ' 54' ' ' PHE . 24.2 mt -144.81 151.96 39.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.517 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 5.6 mt-30 -119.34 153.17 35.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -57.68 97.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.6 37.82 2.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.67 124.77 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mm -83.64 131.72 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.29 163.19 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -115.52 114.58 25.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mt -84.18 110.83 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -76.88 -47.98 19.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HE3' ' CD ' ' A' ' 44' ' ' GLU . 11.8 pttp -138.59 169.22 18.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -104.49 114.83 29.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 mm -68.8 -54.77 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -144.94 176.98 9.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -58.52 -24.74 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -125.75 24.15 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 80.3 m95 -138.67 159.84 41.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 18.3 m-85 -146.55 168.77 20.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' CD ' ' HE3' ' A' ' 36' ' ' LYS . 20.6 tt0 -135.91 123.56 22.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.75 -161.51 10.03 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -124.54 159.49 30.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.466 ' HB2' HD21 ' A' ' 24' ' ' LEU . 20.7 t-80 -163.31 117.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 51.76 41.53 29.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.08 33.9 61.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 21.8 ttm105 -139.43 123.43 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -106.02 141.49 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.68 -149.15 6.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.8 pt -134.09 148.89 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CG ' HD11 ' A' ' 26' ' ' LEU . 20.1 p90 -155.7 151.98 23.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.681 0.753 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.1 Cg_endo -69.71 148.71 66.01 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.511 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 59.3 ttt180 -73.91 -45.06 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.0 t -47.7 -28.54 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.52 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.6 m-85 -77.07 -34.85 57.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.655 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.3 pp -107.09 178.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.3 tp10 -143.53 114.45 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.45 121.32 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -119.16 141.27 30.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.633 0.73 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 133.65 26.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.73 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -147.97 131.86 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -104.27 132.41 50.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -70.43 122.97 20.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -85.37 -39.21 17.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -128.26 156.47 42.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.9 136.56 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -120.45 166.43 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -143.37 106.82 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -71.8 93.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -50.96 -38.57 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 p -136.36 -177.01 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tp -62.36 -47.89 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -40.08 -39.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -94.78 168.49 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.6 HD21 ' HB3' ' A' ' 47' ' ' HIS . 5.0 tp -131.48 131.71 23.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 143.32 50.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.314 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.8 mt -135.77 158.5 44.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.57 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 37.2 mt-30 -123.4 143.07 50.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -52.01 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.76 41.9 2.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.802 ' OD1' HG13 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -112.15 133.89 54.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.842 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.8 mm -90.25 122.8 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.802 HG13 ' OD1' ' A' ' 30' ' ' ASP . 27.3 m -126.03 168.91 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -122.36 107.26 11.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.428 HD12 HD21 ' A' ' 61' ' ' LEU . 96.5 mt -77.71 109.49 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' HA2' ' A' ' 45' ' ' GLY . 52.0 m-85 -76.68 -48.85 17.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -132.9 176.58 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HG3' ' CE1' ' A' ' 43' ' ' TYR . 50.1 tt0 -118.08 116.08 26.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 mm -72.54 -63.47 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -136.78 177.23 8.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -63.49 -17.91 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -127.89 20.61 6.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 87.6 m95 -140.87 159.67 41.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 27.3 m-85 -149.41 177.53 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -147.95 128.0 13.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' A' ' 35' ' ' TYR . . . -154.84 -152.06 6.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.508 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 21.9 tt0 -126.92 148.43 50.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.895 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.6 ' HB3' HD21 ' A' ' 24' ' ' LEU . 39.2 t-80 -162.89 124.7 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 49.63 54.18 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.72 24.21 32.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -128.16 135.67 50.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.02 147.59 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.65 -155.62 20.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.1 pt -125.9 160.22 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -160.36 149.74 14.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.727 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.77 139.41 40.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -64.72 -44.91 88.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.86 -18.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.0 m-85 -89.25 -33.29 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.73 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.9 pp -108.75 173.13 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.508 ' N ' HD12 ' A' ' 59' ' ' ILE . 9.9 tp10 -135.4 110.91 9.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.428 HD21 HD12 ' A' ' 34' ' ' ILE . 15.6 mt -59.63 113.28 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.886 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -106.12 143.85 27.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 142.26 47.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.733 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -161.0 132.69 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -102.01 132.82 47.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.489 ' CB ' ' OD2' ' A' ' 30' ' ' ASP . . . -71.62 119.43 15.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -74.48 -39.9 62.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -130.57 171.8 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.21 107.23 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 26' ' ' LEU . 83.7 t80 -88.6 146.11 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -114.29 118.82 34.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' A' ' 23' ' ' GLU . . . -81.81 112.22 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.66 -43.21 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.4 p -138.21 172.2 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.9 mt -49.07 -39.77 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.38 -44.02 16.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 75.5 mt-10 -96.98 146.24 25.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.474 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.7 tp -107.99 130.95 22.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.77 138.22 37.28 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD21 HG11 ' A' ' 32' ' ' VAL . 84.9 mt -132.43 141.45 48.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -111.56 151.49 28.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -59.65 113.14 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.65 30.03 6.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 12' ' ' ALA . 1.6 p30 -109.35 142.05 40.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 mm -108.05 115.67 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.433 HG11 HD21 ' A' ' 26' ' ' LEU . 34.5 m -119.91 168.16 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -118.23 115.1 24.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.9 mt -84.14 110.2 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -79.7 -45.08 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -142.43 169.99 16.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -112.14 113.04 25.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mm -62.35 -61.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -135.21 171.64 14.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -60.14 -12.54 8.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -129.69 18.63 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.4 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 82.2 m95 -142.13 161.81 37.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.571 ' CD2' ' HB3' ' A' ' 56' ' ' ARG . 6.9 m-85 -139.61 -177.94 5.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -150.56 122.69 8.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.13 -163.46 11.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HB2' HG22 ' A' ' 51' ' ' VAL . 39.0 tt0 -123.61 158.08 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.417 ' CB ' HD21 ' A' ' 24' ' ' LEU . 35.9 t-80 -162.73 124.82 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 43.91 45.08 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.77 24.33 77.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 18.4 ttm180 -128.27 116.77 20.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.409 HG22 ' HB2' ' A' ' 46' ' ' GLU . 81.9 t -103.81 124.04 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.95 -173.35 26.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.1 pt -107.58 150.64 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -156.22 154.21 26.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.2 Cg_endo -69.78 137.69 35.99 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HB3' ' CD2' ' A' ' 43' ' ' TYR . 17.6 ptt180 -71.42 -27.25 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.32 -6.36 13.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -99.97 -29.8 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.733 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.3 pp -109.86 168.23 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.063 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 9.2 pt-20 -131.35 118.58 20.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.18 119.02 8.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -114.56 143.07 29.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.56 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.7 Cg_endo -69.76 144.95 55.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -156.63 135.49 11.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 8.6 ttp-105 -104.5 132.93 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.14 111.93 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -73.14 -36.44 66.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -136.32 163.97 29.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -76.27 115.97 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -105.92 112.87 26.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -91.01 116.01 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.99 109.88 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -69.57 -28.74 66.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 p -141.2 154.23 45.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.0 mt -46.65 -34.8 5.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -49.67 -39.31 36.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -95.98 159.14 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 47' ' ' HIS . 6.2 tp -116.63 130.94 24.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.717 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 142.55 48.09 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.493 HD11 ' CD2' ' A' ' 54' ' ' PHE . 91.9 mt -135.79 129.66 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -100.84 142.21 32.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -42.83 133.25 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.6 46.79 91.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 1.4 m-20 -111.96 131.11 55.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.834 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.6 mm -90.13 114.72 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.6 m -124.24 166.08 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -123.45 120.53 33.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.3 mt -86.69 114.58 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -83.73 -37.35 22.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.61 171.4 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -118.85 121.04 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 mm -73.74 -56.2 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.52 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -65.33 -6.05 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -131.13 12.72 5.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.516 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 91.3 m95 -137.89 167.15 22.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 5.6 m-85 -149.82 173.69 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.981 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -144.3 125.75 14.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.25 -155.46 7.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -132.75 147.72 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.472 ' HB3' HD21 ' A' ' 24' ' ' LEU . 38.2 t-80 -160.06 123.54 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 58.36 53.47 6.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.71 31.96 58.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -133.35 164.02 28.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.9 t -141.33 143.25 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.55 -146.12 5.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 pt -137.01 156.77 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' A' ' 26' ' ' LEU . 7.0 p90 -160.0 153.3 18.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.67 0.747 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.516 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.76 142.72 48.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.408 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 5.5 ptm180 -74.31 -17.69 60.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -2.11 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.445 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.8 m-85 -107.91 -27.01 10.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.698 HD12 ' C ' ' A' ' 59' ' ' ILE . 1.8 pp -108.27 170.9 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' HD12 ' A' ' 59' ' ' ILE . 12.0 tp10 -133.5 111.96 11.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.17 127.11 29.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 9' ' ' PRO . 38.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.489 ' HD2' ' CD2' ' A' ' 61' ' ' LEU . 6.6 ptp85 -116.94 153.2 49.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.4 66.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.75 128.35 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -97.28 134.67 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.0 110.72 17.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 26.2 mmmt -66.42 -36.71 83.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 4.2 m-85 -140.92 145.35 35.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -63.56 111.55 2.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CE1' ' CD ' ' A' ' 55' ' ' PRO . 80.5 t80 -88.48 149.81 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -116.89 114.26 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.14 112.2 19.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -65.6 -40.25 92.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.0 p -132.46 -175.42 3.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.38 -41.99 98.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 5.0 ttpm? -43.68 -42.14 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -95.65 160.84 14.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.547 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.4 tp -125.36 132.74 24.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.631 0.729 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.547 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.7 141.9 46.71 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD11 ' CG ' ' A' ' 54' ' ' PHE . 36.8 mt -129.13 159.55 35.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' HB2' ' CG ' ' A' ' 30' ' ' ASP . 57.6 mt-30 -131.59 137.98 48.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -49.16 113.56 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.71 36.41 6.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.498 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.447 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 1.1 m-20 -111.29 132.39 54.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.328 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.36 102.19 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.497 HG12 ' HB2' ' A' ' 47' ' ' HIS . 28.5 m -106.02 157.55 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -108.97 107.31 17.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mt -73.96 110.34 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -76.57 -48.83 18.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -145.17 178.79 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -112.56 130.75 55.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.7 mm -88.85 -46.27 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -152.08 177.38 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -65.08 -12.89 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -131.87 14.6 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -140.97 147.69 39.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -135.34 179.05 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -139.77 136.66 34.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.49 -156.06 8.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -133.18 150.33 52.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.497 ' HB2' HG12 ' A' ' 32' ' ' VAL . 44.2 t-80 -163.83 125.88 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 55.71 50.69 13.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.09 36.73 68.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -137.91 148.48 45.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.96 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.05 -171.47 40.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 pt -110.15 162.64 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CG ' HD11 ' A' ' 26' ' ' LEU . 11.5 p90 -160.2 151.34 15.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.75 138.54 38.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -38.98 92.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -15.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.2 m-85 -92.38 -30.25 15.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.2 pp -108.64 178.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.538 ' N ' HD12 ' A' ' 59' ' ' ILE . 11.6 tp10 -143.83 116.82 8.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 38.3 mt -62.48 106.66 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.857 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -114.35 174.69 5.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -111.83 156.04 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.55 -101.66 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.561 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.1 p -115.96 139.89 49.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -125.25 123.74 40.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.26 168.5 29.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.5 mtt85 -106.38 143.71 27.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.627 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.3 Cg_endo -69.82 127.97 15.31 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.53 143.83 28.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -109.8 135.61 50.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -73.55 108.74 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -69.23 -31.29 69.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -144.71 154.49 42.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.13 144.0 56.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -133.04 130.77 39.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -100.33 112.31 24.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.401 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -81.55 110.5 16.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -66.29 -45.41 80.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.4 p -129.04 178.76 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.8 mt -56.93 -49.47 75.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' LEU . 6.7 ttpm? -37.54 -43.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -97.38 155.07 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.77 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.6 tp -122.99 138.54 29.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.77 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.73 157.89 58.9 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.317 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.448 ' CD2' HG11 ' A' ' 32' ' ' VAL . 87.9 mt -150.39 159.81 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.665 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 22.9 mt-30 -133.73 143.93 48.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.34 94.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.71 -25.65 5.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.1 138.64 58.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.783 0.325 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.466 HD12 HD11 ' A' ' 62' ' ' LEU . 18.5 mm -96.64 148.41 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.587 HG12 ' HB2' ' A' ' 47' ' ' HIS . 30.0 m -141.91 167.04 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -121.12 109.99 15.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -80.05 113.79 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.205 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -80.51 -41.54 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -146.58 171.5 14.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -110.38 119.76 40.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mm -67.2 -61.57 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -137.4 -175.54 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -66.78 -18.05 65.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -128.19 20.68 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -138.9 164.13 30.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 14.3 m-85 -145.84 174.36 11.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -143.8 129.75 19.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 51' ' ' VAL . . . -158.34 -152.33 6.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -143.09 149.67 38.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.604 ' HB3' HD21 ' A' ' 24' ' ' LEU . 11.6 t-80 -163.04 118.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 65.6 54.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.33 32.89 45.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 28.1 ttt85 -137.39 139.48 40.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 45' ' ' GLY . 11.7 t -122.07 136.63 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.48 -153.89 8.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.7 pt -130.67 152.63 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 111.165 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -156.46 156.12 29.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.63 0.729 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.465 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.73 150.7 68.74 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 42.8 ptt85 -77.51 -18.95 56.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.451 HG22 ' H ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -75.13 -5.76 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.465 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.3 m-85 -103.65 -27.64 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.638 HD12 ' C ' ' A' ' 59' ' ' ILE . 1.9 pp -109.65 171.98 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' N ' HD12 ' A' ' 59' ' ' ILE . 14.7 tt0 -139.39 109.74 6.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.4 mt -56.62 106.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 9' ' ' PRO . 91.6 mt -55.98 166.9 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -129.3 134.2 47.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.32 -95.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.372 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.9 t -157.49 111.79 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -130.81 97.74 4.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 100.0 p -138.95 144.92 39.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.387 . . . . 0.0 110.825 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -101.65 -32.75 10.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.59 -111.61 3.88 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -113.74 171.95 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -155.34 156.75 36.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.4 -176.35 43.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -106.88 144.01 28.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.717 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 125.07 11.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.596 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -139.27 140.34 37.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HB2' HD11 ' A' ' 62' ' ' LEU . 33.9 ttp180 -107.59 140.64 40.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -81.19 115.0 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -76.46 -37.38 57.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -133.06 163.67 28.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.19 130.16 39.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -121.44 120.07 33.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -96.95 116.78 29.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.03 110.92 17.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.065 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.519 ' HG3' HG23 ' A' ' 20' ' ' THR . 7.2 pt20 -62.07 -44.8 95.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.519 HG23 ' HG3' ' A' ' 19' ' ' GLN . 9.3 p -137.54 175.97 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.187 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.4 tp -50.11 -50.97 46.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 21' ' ' LEU . 26.7 tttt -34.24 -44.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -100.83 159.56 15.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.804 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.1 tp -125.07 138.38 31.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.711 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.804 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.77 154.25 67.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.574 ' CD2' HG11 ' A' ' 32' ' ' VAL . 54.1 mt -148.13 113.29 5.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 6.8 tt0 -82.68 142.86 31.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -54.34 104.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.9 37.39 3.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.75 141.37 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.9 mm -94.81 118.08 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.574 HG11 ' CD2' ' A' ' 26' ' ' LEU . 35.2 m -122.37 156.03 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -113.67 115.6 28.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.418 HG21 ' CD1' ' A' ' 43' ' ' TYR . 20.8 mt -88.74 120.1 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -88.46 -41.97 12.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -136.54 169.34 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -115.15 103.39 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.427 HG22 ' OD1' ' A' ' 39' ' ' ASP . 36.3 mm -53.6 -67.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' HG22 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -134.23 -178.93 5.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -65.38 -16.69 63.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -127.72 21.09 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.486 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 83.2 m95 -142.36 161.57 37.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 17.8 m-85 -146.91 171.95 14.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.561 ' OE1' HG22 ' A' ' 53' ' ' ILE . 16.3 tp10 -140.77 126.91 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.9 -157.43 8.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -134.66 139.41 45.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.629 ' HB3' HD11 ' A' ' 24' ' ' LEU . 40.0 t-80 -140.24 116.04 10.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 51.0 53.81 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.67 36.52 92.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -137.95 115.91 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.4 t -97.37 126.55 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.71 168.57 39.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.561 HG22 ' OE1' ' A' ' 44' ' ' GLU . 9.6 pt -98.49 151.18 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CG ' HD11 ' A' ' 26' ' ' LEU . 12.5 p90 -154.74 154.86 29.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.69 148.3 65.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.433 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 46.9 ttp180 -76.0 -35.96 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.78 -11.21 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 14.5 m-85 -95.64 -29.97 14.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.596 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.2 pp -110.58 172.3 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 59' ' ' ILE . 11.9 tp10 -134.08 117.72 16.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.82 110.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 11' ' ' ARG . 26.3 mt -81.72 103.06 11.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m -67.98 123.67 21.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.61 -88.11 0.51 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 167.74 23.59 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.694 2.263 . . . . 0.0 112.292 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.9 p -138.0 130.04 28.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -50.01 133.82 22.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -102.79 -46.24 4.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.819 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -166.51 123.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.25 -103.42 2.56 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -91.67 113.25 25.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' CZ ' ' A' ' 8' ' ' ARG . 2.1 m -113.39 134.72 54.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.58 146.17 22.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' CZ ' ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -104.51 143.27 26.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.723 . . . . 0.0 110.85 -179.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 150.97 68.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.293 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.674 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -161.6 141.34 10.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -108.52 133.04 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' HB3' ' H ' ' A' ' 30' ' ' ASP . . . -78.13 116.3 18.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -73.2 -45.6 55.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -120.78 179.88 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -90.51 133.26 35.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -125.8 128.26 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.08 130.99 47.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.57 111.61 23.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.24 -45.79 75.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.0 p -133.2 177.72 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 22' ' ' LYS . 36.2 mt -51.91 -48.93 63.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 21' ' ' LEU . 23.2 ttpt -36.8 -46.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -95.39 164.74 12.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.594 HD12 ' HD2' ' A' ' 25' ' ' PRO . 5.2 tp -134.25 136.17 25.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.594 ' HD2' HD12 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.74 143.84 52.23 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.634 HD11 ' CG ' ' A' ' 54' ' ' PHE . 60.0 mt -143.8 105.03 4.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.59 144.33 35.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -48.38 104.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.02 39.53 3.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.442 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' H ' ' HB3' ' A' ' 12' ' ' ALA . 6.1 m-20 -110.24 133.5 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.5 mm -95.64 119.82 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.664 HG12 ' HB2' ' A' ' 47' ' ' HIS . 29.5 m -125.75 167.92 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -118.8 110.67 17.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.3 mt -76.52 111.57 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.186 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -83.34 -47.71 11.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.58 174.14 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -116.03 107.57 15.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.0 mm -61.53 -59.33 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -138.72 -177.09 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -69.43 -14.06 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -130.74 19.09 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 86.0 m95 -136.99 167.74 20.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 10.0 m-85 -151.49 168.93 23.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -139.0 124.51 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.59 -161.27 10.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' OE1' ' C ' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -125.34 153.42 43.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.374 . . . . 0.0 110.842 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.664 ' HB2' HG12 ' A' ' 32' ' ' VAL . 39.4 t-80 -164.66 130.55 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 45.91 48.85 12.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.37 30.07 73.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.594 ' HG2' HD12 ' A' ' 24' ' ' LEU . 7.3 tpp85 -131.1 141.82 50.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.2 t -122.76 137.71 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.22 -165.92 33.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.6 pt -113.49 158.56 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.634 ' CG ' HD11 ' A' ' 26' ' ' LEU . 26.4 p90 -162.89 148.93 10.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.77 143.05 49.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 18.4 ttt180 -70.34 -43.0 71.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -49.34 -25.45 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.7 m-85 -80.02 -33.38 39.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.674 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.9 pp -107.2 174.72 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.534 ' N ' HD12 ' A' ' 59' ' ' ILE . 17.3 tp10 -141.31 115.11 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.4 138.68 56.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.4 mt -95.51 162.47 13.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.9 t -88.49 161.49 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -147.72 -176.8 21.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 171.11 15.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.3 m -160.88 161.25 31.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 t -84.61 126.12 33.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -112.13 171.25 7.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -77.08 167.13 22.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.96 -139.05 6.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 p -125.66 115.17 19.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -82.79 125.93 31.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.81 166.78 36.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -115.44 143.56 30.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 123.8 10.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.625 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -133.1 139.09 46.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.074 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HB2' HD11 ' A' ' 62' ' ' LEU . 59.6 ttt180 -111.84 132.8 54.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 119.11 14.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -79.43 -37.69 36.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -133.82 174.06 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -81.14 126.6 31.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -119.67 123.01 42.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -99.45 101.06 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.438 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -54.45 109.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -55.21 -45.69 75.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.9 p -143.31 173.43 11.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.5 tp -45.78 -44.33 13.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -42.51 -45.63 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -95.87 161.47 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.779 HD21 ' HB3' ' A' ' 47' ' ' HIS . 6.9 tp -121.52 135.9 25.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.644 0.735 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.599 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.82 148.6 65.0 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.69 2.26 . . . . 0.0 112.298 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.481 HD11 ' CG ' ' A' ' 54' ' ' PHE . 17.8 mt -140.38 139.03 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -108.74 142.37 39.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -49.38 107.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.6 39.17 4.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -110.79 137.52 48.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.721 0.296 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.7 mm -93.14 132.24 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG23 ' HB3' ' A' ' 10' ' ' ALA . 22.1 m -141.34 163.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -118.9 110.98 17.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -79.84 110.04 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.402 ' OH ' ' CB ' ' A' ' 46' ' ' GLU . 24.7 m-85 -77.6 -40.47 42.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -146.6 177.58 8.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -117.76 110.6 18.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mm -59.45 -60.07 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -136.25 -176.54 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -18.43 65.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -128.74 25.25 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 79.9 m95 -139.61 167.68 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 14.9 m-85 -153.92 161.11 42.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -131.62 126.16 34.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.57 -161.15 10.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' CB ' ' OH ' ' A' ' 35' ' ' TYR . 26.5 tt0 -125.49 152.1 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.779 ' HB3' HD21 ' A' ' 24' ' ' LEU . 58.1 t-80 -158.68 127.33 5.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.0 t60 50.68 34.81 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.07 17.54 78.14 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.459 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 16.1 ttm180 -124.12 121.44 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.12 130.93 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.79 -166.5 21.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 pt -117.21 155.93 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.481 ' CG ' HD11 ' A' ' 26' ' ' LEU . 10.9 p90 -161.54 153.78 16.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.659 0.742 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.483 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.8 144.82 55.05 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.547 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 24.5 ttp85 -73.19 -30.14 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 t -63.37 -7.5 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.483 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 13.0 m-85 -103.14 -27.6 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.747 HD12 ' N ' ' A' ' 60' ' ' GLU . 1.8 pp -107.65 -178.45 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.747 ' N ' HD12 ' A' ' 59' ' ' ILE . 15.7 tt0 -151.47 113.04 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.5 mt -53.78 130.66 37.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 11' ' ' ARG . 55.0 mt -95.92 104.16 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.1 t -142.76 136.86 29.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.76 -158.52 37.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.455 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 98.27 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.4 t -38.32 155.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.6 p -56.37 -34.99 67.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 m -75.36 154.87 37.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.932 0.396 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 p -89.99 93.14 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.26 -59.87 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.525 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -149.77 142.01 24.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.376 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 t -94.92 132.42 39.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.8 -175.43 38.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -125.8 143.92 46.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.11 11.75 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.295 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HB3' ' CG2' ' A' ' 32' ' ' VAL . . . -135.42 146.77 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -120.1 133.06 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.54 116.11 19.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 2.0 mmmm -73.39 -35.07 65.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 4.3 m-85 -134.0 171.93 13.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.2 135.01 35.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -129.23 133.41 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -105.12 119.53 39.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -79.56 102.11 8.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.57 -42.79 64.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.2 p -145.66 175.33 10.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.22 -46.6 9.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -39.38 -49.08 1.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -94.75 163.93 13.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.603 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.7 tp -127.68 134.83 26.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 135.84 31.5 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.392 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.529 HD11 ' CG ' ' A' ' 54' ' ' PHE . 38.3 mt -132.05 133.49 44.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -105.48 141.93 36.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -46.36 118.73 2.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.89 41.61 12.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -111.32 137.18 49.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.0 mm -93.53 122.03 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 10' ' ' ALA . 17.2 m -126.14 161.37 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -117.01 109.32 16.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.3 mt -77.01 116.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -82.96 -42.82 17.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -141.68 179.08 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -119.75 105.24 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.7 mm -60.41 -56.14 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -138.44 -179.0 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -65.61 -23.07 66.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -123.76 14.53 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.411 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 84.3 m95 -129.42 157.44 41.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -144.3 175.11 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -147.88 122.07 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.87 -150.98 5.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.498 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -132.02 148.8 52.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.603 ' CB ' HD21 ' A' ' 24' ' ' LEU . 16.4 t-80 -158.7 117.56 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 59.65 42.79 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.7 30.32 76.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.473 ' HB3' HD11 ' A' ' 24' ' ' LEU . 21.7 ttt180 -134.04 138.62 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.85 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.4 t -114.03 143.35 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.62 -161.66 25.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.1 pt -123.42 152.67 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CG ' HD11 ' A' ' 26' ' ' LEU . 12.1 p90 -153.42 148.55 19.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.748 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.55 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.3 Cg_endo -69.77 139.42 40.16 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -64.39 -42.25 96.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -18.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.55 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 8.9 m-85 -89.25 -32.64 17.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.645 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.3 pp -109.95 -175.27 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.645 ' N ' HD12 ' A' ' 59' ' ' ILE . 19.6 pt-20 -145.55 133.24 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.0 mt -75.35 97.78 3.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.94 87.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.2 p -136.56 138.01 40.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.45 80.83 0.33 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 113.2 3.3 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.363 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t -65.53 -55.12 19.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.8 m -50.33 134.29 23.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.468 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 m -101.1 99.16 9.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 p -106.73 -51.01 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.38 -152.9 6.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -55.7 126.07 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -102.07 158.09 16.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.38 163.05 6.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -128.53 143.61 48.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.656 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.7 144.28 53.81 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.607 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -158.7 134.09 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CZ ' ' HA2' ' A' ' 29' ' ' GLY . 12.4 ttt-85 -101.69 129.59 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 59' ' ' ILE . . . -74.07 112.26 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -71.53 -35.06 70.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -129.44 173.11 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.63 109.11 20.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.654 ' CE2' ' CD ' ' A' ' 55' ' ' PRO . 43.5 t80 -90.45 142.19 27.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -116.26 117.73 30.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -86.53 109.1 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -66.69 -41.57 87.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.7 p -134.06 168.06 19.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.6 tt -47.44 -48.5 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -37.56 -40.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -101.58 157.83 16.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.773 HD12 ' HD2' ' A' ' 25' ' ' PRO . 8.8 tp -121.48 134.66 24.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.773 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.76 152.4 69.3 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.666 HD11 ' CB ' ' A' ' 54' ' ' PHE . 8.4 mt -145.02 128.82 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -97.46 143.31 28.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -53.27 111.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' A' ' 11' ' ' ARG . . . 92.92 37.33 5.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 1.7 m-20 -112.01 128.08 56.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.83 0.348 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.0 mm -87.88 111.93 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 m -114.07 166.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.183 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -119.47 110.48 16.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.478 HG21 ' CD1' ' A' ' 43' ' ' TYR . 28.5 mt -78.95 111.74 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -76.27 -47.36 24.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -146.29 162.9 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 37.7 tt0 -97.38 125.54 42.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.8 mm -79.05 -61.6 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -134.25 -179.27 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -64.0 -18.68 64.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -130.65 22.47 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -138.04 161.68 36.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 12.7 m-85 -144.64 -179.93 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -146.42 125.02 12.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.72 -167.07 17.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 1.6 tm-20 -120.23 151.22 39.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.452 ' CB ' HD21 ' A' ' 24' ' ' LEU . 22.2 t-80 -161.98 128.28 3.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 24.8 t-80 50.32 53.78 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.51 34.25 59.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.473 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -136.61 158.78 43.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.69 144.84 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.57 -165.42 35.7 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.7 pt -116.01 155.95 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.666 ' CB ' HD11 ' A' ' 26' ' ' LEU . 15.2 p90 -157.82 150.75 18.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.654 ' CD ' ' CE2' ' A' ' 16' ' ' PHE . 53.8 Cg_endo -69.76 133.56 25.88 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.534 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 5.3 ptm180 -61.69 -42.37 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 67.1 p -48.43 -23.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 8.6 m-85 -81.51 -30.96 33.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.607 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.4 pp -109.99 -176.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.576 ' N ' HD12 ' A' ' 59' ' ' ILE . 5.4 tp10 -147.12 114.38 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.76 120.83 10.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.656 HD12 ' HB2' ' A' ' 9' ' ' PRO . 44.3 mt -78.61 98.16 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.1 p -59.29 91.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.8 83.27 0.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.66 3.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.8 m -73.87 -53.22 10.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.1 t -100.19 161.03 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 m -68.61 85.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 110.89 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t 64.27 42.48 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.21 105.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -85.88 160.91 19.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 m -77.53 -53.13 7.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.47 143.9 44.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 -116.62 143.42 31.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.79 128.22 15.69 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.836 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -137.28 142.71 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -115.82 132.87 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.9 118.53 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -77.23 -33.6 56.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -127.74 175.73 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.66 99.66 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CE1' ' CD ' ' A' ' 55' ' ' PRO . 74.5 t80 -87.55 134.95 33.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.93 120.74 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 23' ' ' GLU . . . -84.88 105.44 15.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -63.41 -39.76 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.2 p -135.19 168.79 18.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' LYS . 34.8 tp -49.5 -49.15 46.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LEU . 14.5 mmmt -37.6 -41.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.423 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 12.7 mt-10 -99.27 149.73 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD21 ' CB ' ' A' ' 47' ' ' HIS . 14.9 tp -112.45 133.92 21.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.721 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.79 144.81 55.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.598 HD11 ' CG ' ' A' ' 54' ' ' PHE . 28.1 mt -140.29 128.3 22.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -98.24 144.77 27.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -50.08 107.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.43 34.04 6.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.466 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 5.6 m-20 -106.57 137.91 43.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.666 HD12 HD11 ' A' ' 62' ' ' LEU . 50.2 mm -95.88 130.56 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.56 164.96 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -117.52 114.74 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.9 mt -84.1 108.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -78.65 -45.84 20.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -135.65 174.03 11.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -118.91 113.71 21.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.417 HG13 ' CG2' ' A' ' 53' ' ' ILE . 19.9 mm -67.32 -65.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -130.46 -179.52 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -65.42 -19.68 66.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -124.81 20.07 8.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.541 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 91.4 m95 -138.92 163.68 31.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 21.5 m-85 -147.46 -178.55 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -147.29 127.08 13.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.04 -156.55 8.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.447 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -126.08 153.05 45.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.766 ' CB ' HD21 ' A' ' 24' ' ' LEU . 12.0 t-80 -164.55 124.24 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 23.7 t-160 60.03 42.25 16.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.75 33.14 86.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -134.95 172.52 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.2 t -140.56 142.1 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.83 -171.51 44.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.417 ' CG2' HG13 ' A' ' 38' ' ' ILE . 19.9 pt -113.56 155.28 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CG ' HD11 ' A' ' 26' ' ' LEU . 2.6 p90 -154.07 155.2 30.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.541 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.4 Cg_endo -69.76 135.75 31.26 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.527 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 27.9 ttt85 -66.73 -41.86 87.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.576 HG23 ' HD1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -52.94 -17.48 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.169 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.576 ' HD1' HG23 ' A' ' 57' ' ' THR . 7.6 m-85 -88.26 -32.71 18.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.836 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.8 pp -111.63 178.8 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.688 ' N ' HD12 ' A' ' 59' ' ' ILE . 17.6 pt-20 -146.86 129.32 15.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.31 112.73 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.666 HD11 HD12 ' A' ' 31' ' ' ILE . 69.6 mt -63.79 136.98 57.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -89.12 160.68 16.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.14 155.88 26.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.6 Cg_endo -69.71 119.55 6.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' PRO . 59.5 p 36.56 41.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 t -96.99 86.04 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -130.27 106.98 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -78.9 100.21 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.33 -105.88 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.454 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -147.91 135.28 20.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -124.67 147.79 48.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.2 -179.58 17.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.523 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -123.37 144.18 43.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.702 ' HB2' HD12 ' A' ' 62' ' ' LEU . 54.0 Cg_endo -69.76 128.5 16.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -141.05 132.83 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -103.45 143.63 32.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -86.69 106.39 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -65.57 -35.14 79.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -133.3 172.41 12.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -83.99 130.6 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -116.61 142.55 46.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -116.01 119.76 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.11 111.74 23.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.047 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -68.34 -39.58 81.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 p -141.12 175.27 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 22' ' ' LYS . 13.6 tp -48.23 -49.42 33.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 21' ' ' LEU . 5.6 tmtm? -35.0 -49.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -98.03 155.91 16.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.87 HD12 ' HD2' ' A' ' 25' ' ' PRO . 10.6 tp -119.1 133.36 23.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.87 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.3 Cg_endo -69.79 135.7 31.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.641 2.227 . . . . 0.0 112.318 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' A' ' 54' ' ' PHE . 35.5 mt -128.08 155.98 43.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 30.2 mt-30 -131.36 144.79 51.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -52.88 114.08 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.84 28.89 17.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.439 ' CG ' ' HB2' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -103.89 124.0 48.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.4 mm -84.25 122.33 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.497 HG23 ' HB3' ' A' ' 10' ' ' ALA . 35.4 m -125.49 161.59 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -115.5 112.64 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.526 HG21 ' CD1' ' A' ' 43' ' ' TYR . 16.5 mt -86.79 121.14 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -87.72 -43.85 11.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.675 ' HE3' HD13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -145.97 162.53 37.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -98.41 115.74 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.675 HD13 ' HE3' ' A' ' 36' ' ' LYS . 5.1 mm -65.18 -64.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -128.97 -178.09 4.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -67.16 -15.54 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -132.89 23.65 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.438 ' CE3' HD12 ' A' ' 53' ' ' ILE . 65.7 m95 -140.51 168.73 19.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.526 ' CD1' HG21 ' A' ' 34' ' ' ILE . 20.8 m-85 -148.38 175.39 11.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -143.63 122.42 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.33 -162.21 11.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 40.1 tt0 -123.2 158.74 30.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.436 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 55.0 t-80 -163.01 110.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.402 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 12.1 t-80 58.06 44.69 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.86 28.58 70.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -133.83 124.53 26.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.7 t -108.74 134.0 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.22 -154.43 8.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.438 HD12 ' CE3' ' A' ' 42' ' ' TRP . 10.9 pt -128.27 161.09 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.474 ' CG ' HD11 ' A' ' 26' ' ' LEU . 9.6 p90 -164.88 149.77 8.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.77 137.12 34.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 6.4 tmm_? -59.36 -48.29 82.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.5 p -44.92 -30.79 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.2 m-85 -74.74 -36.8 62.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.5 pp -108.2 -175.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.555 ' N ' HD12 ' A' ' 59' ' ' ILE . 14.4 pt-20 -150.16 127.27 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.29 117.33 9.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.702 HD12 ' HB2' ' A' ' 9' ' ' PRO . 20.4 mt -75.33 146.02 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -126.32 155.93 41.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.61 -174.2 46.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.35 62.62 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.244 . . . . 0.0 112.324 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.5 m -125.81 139.24 53.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.0 t -110.85 134.49 52.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.464 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 51.66 41.18 28.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -132.98 144.56 50.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.74 163.05 29.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -87.14 131.65 34.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -71.69 -36.73 70.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.0 168.22 22.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 mtt85 -108.94 144.16 29.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.581 0.705 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.58 17.84 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.25 148.95 33.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.497 ' HB2' HD11 ' A' ' 62' ' ' LEU . 54.2 ttp180 -117.79 130.17 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -76.31 110.5 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -63.47 -38.81 92.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.439 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -131.11 163.64 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.45 105.8 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -90.84 139.55 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -107.9 128.11 54.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.34 128.24 42.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -85.7 -33.64 21.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -140.81 174.8 10.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 mp -51.64 -46.95 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ILE . 11.7 tppt? -41.13 -43.27 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -96.89 157.88 15.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.826 HD12 ' HD2' ' A' ' 25' ' ' PRO . 13.5 tp -126.28 132.91 24.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.594 0.711 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.826 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.78 133.18 24.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.532 HD11 ' CG ' ' A' ' 54' ' ' PHE . 40.0 mt -125.99 152.96 45.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.523 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 41.7 mm-40 -123.94 158.99 30.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -62.54 109.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.1 43.97 5.19 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.35 133.45 54.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.6 mm -94.98 114.46 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.93 165.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -118.7 110.47 17.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.7 mt -78.79 112.34 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -78.21 -42.13 32.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -145.83 175.64 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -117.9 118.33 31.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.9 mm -71.9 -60.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -131.08 177.3 7.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -66.23 -13.68 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -129.03 12.31 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.437 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 78.7 m95 -130.07 162.23 29.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 19.3 m-85 -147.08 175.96 10.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -149.38 129.15 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.8 -145.61 4.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -140.34 148.42 41.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.471 ' CB ' HD21 ' A' ' 24' ' ' LEU . 49.5 t-80 -161.9 126.6 3.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.7 m170 54.35 42.85 31.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.28 32.07 82.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.46 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 22.2 ttm-85 -134.6 134.86 41.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.0 t -114.7 133.43 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.68 -155.95 9.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' LYS . 11.0 pt -128.18 156.7 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 111.148 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.532 ' CG ' HD11 ' A' ' 26' ' ' LEU . 7.2 p90 -157.87 153.84 23.35 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.543 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.78 144.65 54.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 2.8 tpt180 -69.61 -44.99 69.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -19.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.8 m-85 -86.63 -30.64 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.499 HD12 ' C ' ' A' ' 59' ' ' ILE . 2.3 pp -112.05 171.63 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' OE2' ' NH2' ' A' ' 11' ' ' ARG . 8.0 pt-20 -135.23 118.31 16.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.57 108.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 11' ' ' ARG . 17.5 mt -78.74 154.36 30.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.8 p -70.46 163.06 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.3 79.67 0.17 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 105.23 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.4 p -95.07 143.5 26.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.7 m -76.71 155.74 33.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.463 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -80.16 -54.52 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.4 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -65.3 148.9 50.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.3 109.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.5 m -104.59 47.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 p -62.69 -34.68 77.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.53 158.81 5.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 mtt85 -121.6 143.21 37.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 130.4 19.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.634 2.223 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.571 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -142.9 131.74 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -101.4 130.86 47.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.83 112.55 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -72.98 -37.87 66.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -132.01 165.13 24.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.93 105.38 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -89.95 146.11 24.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -119.19 124.7 47.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.17 114.36 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.23 -43.98 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.7 p -127.1 179.11 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 mp -58.04 -47.7 82.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -38.96 -42.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -97.05 153.34 17.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.761 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.5 tp -121.36 133.27 24.16 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 142.94 49.21 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.8 mt -134.2 124.17 25.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -91.11 144.22 25.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -50.42 104.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.08 44.84 3.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.499 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -111.09 134.92 52.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.1 mm -93.39 114.86 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.1 m -123.57 162.58 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -116.49 110.7 18.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.57 HG21 ' CD1' ' A' ' 43' ' ' TYR . 24.6 mt -81.69 113.26 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -80.15 -45.3 18.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -141.72 170.31 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -112.46 114.66 27.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.443 HG13 ' CG2' ' A' ' 53' ' ' ILE . 30.4 mm -62.8 -65.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -130.18 174.88 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 29.7 tp60 -61.61 -13.26 20.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -129.34 13.21 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -134.7 164.23 27.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CD1' HG21 ' A' ' 34' ' ' ILE . 12.4 m-85 -143.65 -178.79 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -150.92 123.58 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.97 -157.21 7.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.545 ' HB2' HG22 ' A' ' 51' ' ' VAL . 20.5 tt0 -128.12 156.53 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.761 ' CB ' HD21 ' A' ' 24' ' ' LEU . 23.4 t-80 -163.55 122.16 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t60 51.09 42.82 29.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.85 22.5 78.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.403 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 19.5 ttm180 -128.93 120.04 25.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' A' ' 46' ' ' GLU . 75.2 t -101.5 126.96 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.9 179.93 35.12 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.443 ' CG2' HG13 ' A' ' 38' ' ' ILE . 22.7 pt -101.8 159.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 111.165 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -165.18 155.16 11.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 140.58 42.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.524 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 31.1 ptt180 -70.34 -40.58 74.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.436 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 14.9 t -51.19 -24.85 4.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -79.99 -31.03 39.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.571 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.3 pp -109.64 176.82 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 59' ' ' ILE . 11.7 tt0 -146.04 110.8 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.1 mt -54.4 118.55 4.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.0 mt -75.83 -48.07 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.8 p -79.58 173.34 12.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.43 164.23 9.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.435 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 121.14 7.84 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.372 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 t -105.45 147.99 27.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 t -58.86 -46.41 87.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 p -100.18 170.96 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -131.54 -45.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.38 -93.95 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 p -125.31 172.63 9.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -143.73 138.11 28.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.16 172.18 54.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.8 mtm-85 -111.99 143.05 27.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.62 0.724 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 122.66 9.32 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.288 . . . . 0.0 112.311 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -143.42 147.11 34.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -115.29 137.06 52.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.33 111.33 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 58' ' ' TYR . 14.8 mmmt -68.95 -31.77 70.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -136.46 166.57 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -81.73 113.12 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 17' ' ' LYS . 26.7 t80 -102.04 150.32 23.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 21.9 pttp -124.65 122.53 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -91.25 114.9 27.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.78 -34.3 66.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 p -140.05 174.49 10.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 mp -50.86 -47.08 60.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -39.14 -42.84 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -100.26 159.46 15.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.681 HD12 ' HD2' ' A' ' 25' ' ' PRO . 4.9 tp -124.71 133.01 24.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.609 0.718 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.681 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.76 133.74 26.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.276 . . . . 0.0 112.342 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.603 ' CD2' HG11 ' A' ' 32' ' ' VAL . 76.9 mt -133.18 143.42 49.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -114.41 143.13 45.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -55.12 119.38 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.66 -26.91 22.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.77 151.92 37.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.807 0.337 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.621 HD12 HD11 ' A' ' 62' ' ' LEU . 7.3 mm -112.8 138.0 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.603 HG11 ' CD2' ' A' ' 26' ' ' LEU . 3.9 m -132.7 172.0 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -121.45 114.71 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.1 mt -84.2 115.17 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -82.92 -46.05 13.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -137.53 177.69 7.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -119.18 103.62 9.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.9 mm -52.66 -67.17 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -128.99 -179.02 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.438 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 58.7 mt-30 -65.0 -13.66 58.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -131.64 15.21 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 78.1 m95 -132.18 158.08 42.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 56' ' ' ARG . 12.7 m-85 -140.13 178.79 7.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -146.46 124.19 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.71 -172.88 20.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -124.54 145.92 49.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -161.0 125.53 3.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 59.77 44.05 14.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.5 21.35 64.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.542 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.497 ' HG2' HD12 ' A' ' 24' ' ' LEU . 9.6 tpt180 -123.35 143.09 50.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.3 t -127.11 142.75 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.92 -155.95 14.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.5 pt -128.19 150.39 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CG ' HD11 ' A' ' 26' ' ' LEU . 4.8 p90 -152.97 152.82 28.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.746 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.76 128.51 16.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HB3' ' CD2' ' A' ' 43' ' ' TYR . 26.7 ptt180 -57.4 -19.04 20.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 p -71.03 -22.54 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.516 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.4 m-85 -88.25 -22.71 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.2 pp -117.56 175.68 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' HD12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -143.97 137.9 28.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.7 mt -79.25 104.08 9.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.621 HD11 HD12 ' A' ' 31' ' ' ILE . 8.0 mt -56.46 146.36 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.7 p -70.57 122.97 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.94 83.3 0.34 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.94 11.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.1 t -44.38 -34.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -116.57 134.54 54.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m 45.38 48.56 10.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.83 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.4 p -63.95 -44.21 93.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -96.81 -118.95 3.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.548 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.6 m 35.22 45.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -107.8 114.96 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.41 157.3 21.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -108.53 143.88 28.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.564 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.9 Cg_endo -69.75 141.53 45.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.832 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -149.84 129.67 13.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -98.37 124.73 43.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -70.82 113.82 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -69.92 -33.41 72.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -140.1 155.63 46.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -67.14 128.32 35.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -110.91 140.87 45.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -115.33 115.17 26.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -84.37 113.14 20.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -69.13 -37.48 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.9 p -137.56 177.58 7.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 tp -55.43 -44.58 76.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -41.04 -44.55 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -95.54 163.2 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.6 tp -125.87 132.43 24.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.672 0.749 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.63 63.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.362 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mt -147.06 165.58 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 48.5 mt-30 -134.33 155.56 50.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -57.03 101.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.88 44.23 2.48 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.11 137.0 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 mm -94.01 118.29 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 m -125.6 158.08 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -113.73 112.3 23.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.422 HG21 ' CD1' ' A' ' 43' ' ' TYR . 13.8 mt -84.64 117.07 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -85.32 -41.07 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -140.97 174.24 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -115.88 107.9 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.404 HG13 ' CG2' ' A' ' 53' ' ' ILE . 25.7 mm -58.09 -60.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -139.65 176.08 9.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -63.58 -11.66 26.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -131.47 19.94 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.476 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 88.3 m95 -142.54 170.18 16.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 22.4 m-85 -152.14 176.78 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -144.54 124.06 13.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.18 -162.49 11.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -124.31 151.33 44.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.766 ' CB ' HD21 ' A' ' 24' ' ' LEU . 52.0 t-80 -157.08 108.3 2.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 61.39 54.02 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.03 26.18 65.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.534 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HB3' HD11 ' A' ' 24' ' ' LEU . 19.2 ttm-85 -130.83 123.81 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.843 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.0 t -106.86 134.34 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.87 -169.78 34.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.404 ' CG2' HG13 ' A' ' 38' ' ' ILE . 8.4 pt -109.19 162.66 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -165.49 151.93 8.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.492 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.77 140.44 42.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -69.71 -42.13 74.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -51.36 -20.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.492 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.9 m-85 -85.52 -32.39 22.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.832 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.9 pp -110.58 175.01 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.566 ' N ' HD12 ' A' ' 59' ' ' ILE . 6.3 tp10 -138.08 119.79 15.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mt -67.9 130.86 44.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 9' ' ' PRO . 50.7 mt -91.93 170.36 9.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.3 p -119.82 -177.0 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.75 83.47 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.75 3.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 77.3 p -52.31 142.37 17.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.3 m -66.08 -60.59 2.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -140.85 132.67 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -100.18 43.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.86 -116.29 0.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m 50.57 48.44 22.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -128.75 143.39 50.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 34' ' ' ILE . . . -136.75 -157.84 7.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.451 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -117.11 143.65 32.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.634 0.73 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.523 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.9 Cg_endo -69.73 123.17 9.85 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.691 2.26 . . . . 0.0 112.363 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.637 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -137.51 146.51 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.046 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -113.74 132.71 55.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -79.61 112.2 16.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 10.5 mmmt -69.27 -35.63 76.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 6.3 m-85 -133.59 170.69 15.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.75 115.46 23.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -92.56 155.66 17.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -124.38 107.51 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.66 117.86 20.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -69.22 -42.0 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.2 p -142.69 171.72 13.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' LYS . 14.0 mt -42.59 -47.41 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' LEU . 7.0 tmtm? -37.93 -48.22 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -96.21 158.15 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.982 HD12 ' HD2' ' A' ' 25' ' ' PRO . 8.5 tp -121.52 131.82 24.36 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.596 0.713 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.982 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.84 140.41 42.33 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.49 HD13 ' CG2' ' A' ' 59' ' ' ILE . 84.1 mt -125.43 163.98 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 37.9 mt-30 -140.28 142.18 35.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -47.73 117.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.89 36.0 17.0 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.44 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 2.8 m-20 -106.67 128.17 53.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.836 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 mm -95.14 114.71 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.74 163.93 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -115.15 108.29 16.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.519 HG23 ' H ' ' A' ' 44' ' ' GLU . 54.4 mt -78.6 117.14 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -83.02 -44.3 15.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -144.57 145.67 31.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -89.79 113.82 25.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mm -62.78 -60.31 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -138.39 173.73 11.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -56.86 -18.06 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -129.72 24.33 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 86.2 m95 -143.46 155.16 44.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.441 ' CG ' HD13 ' A' ' 34' ' ' ILE . 33.3 m-85 -140.7 -179.91 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.519 ' H ' HG23 ' A' ' 34' ' ' ILE . 12.1 tt0 -153.9 119.2 5.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.28 -146.9 4.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -139.52 141.39 37.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.771 ' HB3' HD11 ' A' ' 24' ' ' LEU . 27.6 t-80 -148.83 132.64 16.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 42.82 48.42 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.85 34.56 90.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.413 ' O ' HD13 ' A' ' 24' ' ' LEU . 34.9 ttt180 -137.32 118.97 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.44 132.06 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -171.58 -172.0 37.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.8 pt -109.77 161.83 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -162.92 152.44 12.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.681 0.753 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.571 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.6 Cg_endo -69.76 143.03 49.55 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.659 2.24 . . . . 0.0 112.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -69.67 -43.79 71.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -47.32 -24.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 12.0 m-85 -82.56 -34.81 27.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.0 pp -110.24 -175.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.739 ' N ' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -149.33 145.21 26.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.423 ' C ' ' OE1' ' A' ' 60' ' ' GLU . 19.5 mt -86.22 115.98 24.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 9' ' ' PRO . 38.5 mt -69.54 161.97 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -151.62 158.62 43.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.15 -158.23 0.36 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.73 -175.15 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' PRO . 1.7 t -34.66 140.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.1 p -168.79 155.33 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -85.03 84.26 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 p -62.13 94.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.53 -88.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -169.4 118.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.362 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -40.93 -62.12 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.67 177.82 45.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -128.13 144.37 51.4 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 132.34 23.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.489 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -143.32 154.71 44.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -126.06 133.17 51.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.6 105.2 7.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' TYR . 54.5 mtpt -59.36 -33.89 71.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -136.06 174.06 11.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.71 127.06 33.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -116.14 136.42 53.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -117.5 106.22 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.82 118.68 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -74.76 -36.91 62.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.1 p -131.63 162.13 31.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 tp -47.61 -48.33 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -38.35 -41.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -97.36 148.51 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 47' ' ' HIS . 5.1 tp -108.53 131.95 21.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 147.76 63.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.381 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' A' ' 32' ' ' VAL . 16.2 mt -145.21 159.49 42.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -132.16 150.4 52.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -48.23 108.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.4 41.15 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -107.24 123.04 47.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 mm -85.14 114.74 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 26' ' ' LEU . 19.1 m -123.71 160.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -113.39 112.85 24.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.5 mt -84.85 110.43 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CD2' ' HA2' ' A' ' 45' ' ' GLY . 45.5 m-85 -77.94 -48.53 16.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -134.11 179.49 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -119.72 113.38 20.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.9 mm -67.62 -55.57 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -143.64 -179.88 6.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -60.36 -32.64 71.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -117.63 23.9 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.428 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 90.1 m95 -139.45 157.05 46.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -146.24 173.98 11.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -141.18 124.36 16.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.477 ' HA2' ' CD2' ' A' ' 35' ' ' TYR . . . -149.93 -154.26 6.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -137.81 142.96 40.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.481 ' CB ' HD21 ' A' ' 24' ' ' LEU . 50.8 t-80 -153.03 127.84 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 57.13 33.2 22.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.55 30.9 59.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HD3' HD12 ' A' ' 24' ' ' LEU . 16.3 ttt85 -133.73 124.32 26.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.812 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -100.97 125.32 54.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.99 -158.62 9.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 pt -125.24 159.43 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -160.17 152.63 17.45 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.79 142.08 46.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -71.1 -29.1 64.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -63.12 -14.35 47.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 13' ' ' LYS . 9.1 m-85 -95.96 -19.83 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.52 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.0 pp -121.25 174.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 59' ' ' ILE . 14.1 pt-20 -144.23 113.68 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.78 123.87 12.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.05 93.68 5.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.3 p -110.5 143.65 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.03 146.06 8.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.6 Cg_endo -69.8 -42.47 3.34 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.634 2.223 . . . . 0.0 112.352 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' PRO . 9.1 t -37.53 152.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -155.41 138.32 15.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.6 m -57.58 90.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 2' ' ' SER . 85.4 p -36.11 124.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.02 159.59 20.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -127.87 130.24 48.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.0 m -99.82 -54.34 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.32 165.97 25.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -99.88 143.9 27.35 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.619 0.723 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.1 15.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -141.43 145.74 35.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -116.85 138.83 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . . . -81.32 110.77 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.167 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -69.73 -33.85 73.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -130.38 162.0 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.98 96.6 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -85.58 139.87 31.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.8 120.38 38.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.53 112.03 17.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -63.45 -37.98 89.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.7 p -147.23 -176.99 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.713 HD12 ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -56.27 -39.87 73.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -47.22 -40.48 16.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -98.1 168.62 10.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.494 HD12 ' CG ' ' A' ' 50' ' ' ARG . 11.7 tp -131.95 132.2 23.04 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.569 0.7 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.421 ' HD2' HD12 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.73 144.98 55.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.655 2.236 . . . . 0.0 112.386 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.678 HD11 ' CG ' ' A' ' 54' ' ' PHE . 35.6 mt -143.51 104.97 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -74.68 141.65 44.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -47.84 111.31 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.39 38.24 6.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -111.21 125.55 53.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mm -83.29 119.47 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' A' ' 26' ' ' LEU . 17.0 m -124.22 163.78 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -117.0 114.55 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.401 HG23 ' H ' ' A' ' 44' ' ' GLU . 67.5 mt -81.65 116.96 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -81.68 -38.02 26.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.522 ' HE3' HD13 ' A' ' 38' ' ' ILE . 51.5 pttt -152.07 163.04 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -102.74 113.72 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.629 HD11 ' OE1' ' A' ' 44' ' ' GLU . 13.0 mm -65.4 -61.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -134.86 175.85 9.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -60.81 -17.54 50.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -129.71 19.67 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -134.83 160.39 38.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.538 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 8.7 m-85 -143.04 179.46 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.629 ' OE1' HD11 ' A' ' 38' ' ' ILE . 8.5 tt0 -155.93 119.48 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.27 -152.25 5.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -130.01 152.9 48.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 50' ' ' ARG . 38.4 t-80 -164.48 133.69 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 41.28 47.55 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.37 31.88 80.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' CG ' HD12 ' A' ' 24' ' ' LEU . 12.6 tpp85 -134.79 136.0 42.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.334 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.0 t -116.47 143.04 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.07 -158.1 18.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.7 pt -124.21 156.31 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 111.119 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.678 ' CG ' HD11 ' A' ' 26' ' ' LEU . 18.3 p90 -158.27 150.68 17.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.68 138.3 37.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.538 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 12.1 ttt180 -64.01 -40.12 95.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -18.43 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.9 m-85 -89.05 -27.88 20.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.585 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.2 pp -116.44 -179.29 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.166 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.585 ' N ' HD12 ' A' ' 59' ' ' ILE . 12.5 pt-20 -139.01 149.62 44.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.9 mt -92.74 108.82 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 mt -75.61 130.75 39.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.7 t -116.64 112.38 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.09 -159.72 10.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 2.77 3.25 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.292 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.3 p -45.8 171.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 m -46.7 130.1 11.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -143.46 116.61 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 m 52.49 43.45 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.98 105.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -48.94 109.26 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -100.99 87.84 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.93 178.08 33.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -121.49 143.57 38.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.12 24.84 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.655 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -146.87 146.3 30.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -114.94 130.06 56.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -73.31 106.31 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 58' ' ' TYR . 35.8 mtmt -66.41 -40.61 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -129.78 164.13 24.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.63 123.14 25.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -107.5 144.81 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -120.9 106.19 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -68.09 113.59 5.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -57.45 -43.63 84.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.0 p -145.07 174.05 11.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -43.88 -47.29 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -40.01 -44.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.64 163.3 13.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.503 HD12 ' HD2' ' A' ' 25' ' ' PRO . 8.3 tp -123.2 130.95 24.37 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.503 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.75 151.76 69.17 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.529 HD11 ' CG ' ' A' ' 54' ' ' PHE . 24.2 mt -144.81 151.96 39.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.517 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 5.6 mt-30 -119.34 153.17 35.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -57.68 97.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.6 37.82 2.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.67 124.77 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mm -83.64 131.72 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.29 163.19 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -115.52 114.58 25.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mt -84.18 110.83 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -76.88 -47.98 19.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HE3' ' CD ' ' A' ' 44' ' ' GLU . 11.8 pttp -138.59 169.22 18.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -104.49 114.83 29.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 mm -68.8 -54.77 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -144.94 176.98 9.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -58.52 -24.74 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -125.75 24.15 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 80.3 m95 -138.67 159.84 41.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 18.3 m-85 -146.55 168.77 20.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' CD ' ' HE3' ' A' ' 36' ' ' LYS . 20.6 tt0 -135.91 123.56 22.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.75 -161.51 10.03 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -124.54 159.49 30.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.466 ' HB2' HD21 ' A' ' 24' ' ' LEU . 20.7 t-80 -163.31 117.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 51.76 41.53 29.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.08 33.9 61.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 21.8 ttm105 -139.43 123.43 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -106.02 141.49 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.68 -149.15 6.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.8 pt -134.09 148.89 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CG ' HD11 ' A' ' 26' ' ' LEU . 20.1 p90 -155.7 151.98 23.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.681 0.753 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.52 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.1 Cg_endo -69.71 148.71 66.01 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.511 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . 59.3 ttt180 -73.91 -45.06 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.0 t -47.7 -28.54 2.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.52 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.6 m-85 -77.07 -34.85 57.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.655 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.3 pp -107.09 178.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.3 tp10 -143.53 114.45 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.45 121.32 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.55 133.96 36.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.5 t -162.74 156.31 20.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -166.02 -95.06 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 116.88 4.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 t -96.75 108.92 21.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.2 p -59.85 146.49 41.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -58.73 -62.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.855 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t -103.77 142.53 34.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.46 130.75 5.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -129.67 42.31 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -143.39 175.43 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.51 159.32 10.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -119.16 141.27 30.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.633 0.73 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 133.65 26.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.73 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -147.97 131.86 17.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -104.27 132.41 50.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -70.43 122.97 20.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -85.37 -39.21 17.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -128.26 156.47 42.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.9 136.56 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -120.45 166.43 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -143.37 106.82 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -71.8 93.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -50.96 -38.57 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 p -136.36 -177.01 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tp -62.36 -47.89 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -40.08 -39.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -94.78 168.49 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.6 HD21 ' HB3' ' A' ' 47' ' ' HIS . 5.0 tp -131.48 131.71 23.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 143.32 50.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.314 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.8 mt -135.77 158.5 44.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.57 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 37.2 mt-30 -123.4 143.07 50.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -52.01 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.76 41.9 2.23 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.802 ' OD1' HG13 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -112.15 133.89 54.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.771 0.319 . . . . 0.0 110.842 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.8 mm -90.25 122.8 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.802 HG13 ' OD1' ' A' ' 30' ' ' ASP . 27.3 m -126.03 168.91 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -122.36 107.26 11.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.428 HD12 HD21 ' A' ' 61' ' ' LEU . 96.5 mt -77.71 109.49 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' HA2' ' A' ' 45' ' ' GLY . 52.0 m-85 -76.68 -48.85 17.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -132.9 176.58 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HG3' ' CE1' ' A' ' 43' ' ' TYR . 50.1 tt0 -118.08 116.08 26.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 mm -72.54 -63.47 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -136.78 177.23 8.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -63.49 -17.91 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -127.89 20.61 6.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 87.6 m95 -140.87 159.67 41.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' A' ' 37' ' ' GLN . 27.3 m-85 -149.41 177.53 9.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -147.95 128.0 13.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' A' ' 35' ' ' TYR . . . -154.84 -152.06 6.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.508 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 21.9 tt0 -126.92 148.43 50.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.895 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.6 ' HB3' HD21 ' A' ' 24' ' ' LEU . 39.2 t-80 -162.89 124.7 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 49.63 54.18 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.72 24.21 32.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -128.16 135.67 50.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.02 147.59 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.65 -155.62 20.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.1 pt -125.9 160.22 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -160.36 149.74 14.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.727 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.77 139.41 40.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.33 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -64.72 -44.91 88.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.86 -18.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.0 m-85 -89.25 -33.29 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.73 HD13 ' HB1' ' A' ' 10' ' ' ALA . 1.9 pp -108.75 173.13 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.508 ' N ' HD12 ' A' ' 59' ' ' ILE . 9.9 tp10 -135.4 110.91 9.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.428 HD21 HD12 ' A' ' 34' ' ' ILE . 15.6 mt -59.63 113.28 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.61 129.6 34.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.8 p -144.83 147.74 33.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.56 -94.43 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 103.17 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 t -68.87 -50.43 49.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.5 t -102.82 95.09 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t -72.08 83.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -79.12 146.91 32.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.46 -70.46 0.32 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 p -170.98 153.31 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m -102.41 130.61 49.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.8 163.65 4.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -106.12 143.85 27.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 142.26 47.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.733 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -161.0 132.69 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -102.01 132.82 47.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' CB ' ' OD2' ' A' ' 30' ' ' ASP . . . -71.62 119.43 15.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -74.48 -39.9 62.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -130.57 171.8 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.21 107.23 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 26' ' ' LEU . 83.7 t80 -88.6 146.11 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -114.29 118.82 34.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' A' ' 23' ' ' GLU . . . -81.81 112.22 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.66 -43.21 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.4 p -138.21 172.2 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.9 mt -49.07 -39.77 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.38 -44.02 16.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 75.5 mt-10 -96.98 146.24 25.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.474 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.7 tp -107.99 130.95 22.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.77 138.22 37.28 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD21 HG11 ' A' ' 32' ' ' VAL . 84.9 mt -132.43 141.45 48.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -111.56 151.49 28.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -59.65 113.14 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.65 30.03 6.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 12' ' ' ALA . 1.6 p30 -109.35 142.05 40.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 mm -108.05 115.67 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.433 HG11 HD21 ' A' ' 26' ' ' LEU . 34.5 m -119.91 168.16 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -118.23 115.1 24.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.9 mt -84.14 110.2 18.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -79.7 -45.08 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -142.43 169.99 16.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -112.14 113.04 25.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mm -62.35 -61.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -135.21 171.64 14.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -60.14 -12.54 8.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -129.69 18.63 5.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.4 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 82.2 m95 -142.13 161.81 37.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.571 ' CD2' ' HB3' ' A' ' 56' ' ' ARG . 6.9 m-85 -139.61 -177.94 5.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -150.56 122.69 8.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.13 -163.46 11.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HB2' HG22 ' A' ' 51' ' ' VAL . 39.0 tt0 -123.61 158.08 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.417 ' CB ' HD21 ' A' ' 24' ' ' LEU . 35.9 t-80 -162.73 124.82 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 43.91 45.08 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.77 24.33 77.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 18.4 ttm180 -128.27 116.77 20.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.409 HG22 ' HB2' ' A' ' 46' ' ' GLU . 81.9 t -103.81 124.04 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.95 -173.35 26.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.1 pt -107.58 150.64 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 111.114 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -156.22 154.21 26.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 53.2 Cg_endo -69.78 137.69 35.99 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HB3' ' CD2' ' A' ' 43' ' ' TYR . 17.6 ptt180 -71.42 -27.25 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.32 -6.36 13.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -99.97 -29.8 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.733 HD13 ' HB1' ' A' ' 10' ' ' ALA . 2.3 pp -109.86 168.23 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.063 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 9.2 pt-20 -131.35 118.58 20.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.18 119.02 8.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 mt -72.36 140.95 48.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 p -83.75 108.94 17.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.48 -158.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 144.88 55.1 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 t -118.68 179.34 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 t -170.69 130.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -113.25 137.39 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.347 . . . . 0.0 110.886 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 m -148.43 175.54 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.69 -173.91 15.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.535 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -130.97 125.8 34.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 m -42.51 -64.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.45 177.31 7.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -114.56 143.07 29.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.56 ' HB2' HD12 ' A' ' 62' ' ' LEU . 53.7 Cg_endo -69.76 144.95 55.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB1' HD13 ' A' ' 59' ' ' ILE . . . -156.63 135.49 11.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 8.6 ttp-105 -104.5 132.93 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.14 111.93 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -73.14 -36.44 66.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -136.32 163.97 29.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -76.27 115.97 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -105.92 112.87 26.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -91.01 116.01 28.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.99 109.88 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -69.57 -28.74 66.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 p -141.2 154.23 45.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.0 mt -46.65 -34.8 5.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -49.67 -39.31 36.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -95.98 159.14 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 47' ' ' HIS . 6.2 tp -116.63 130.94 24.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.717 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 142.55 48.09 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.493 HD11 ' CD2' ' A' ' 54' ' ' PHE . 91.9 mt -135.79 129.66 32.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -100.84 142.21 32.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -42.83 133.25 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.6 46.79 91.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' OD2' ' CE1' ' A' ' 47' ' ' HIS . 1.4 m-20 -111.96 131.11 55.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.834 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.6 mm -90.13 114.72 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.6 m -124.24 166.08 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -123.45 120.53 33.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.3 mt -86.69 114.58 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.145 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -83.73 -37.35 22.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.61 171.4 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -118.85 121.04 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 mm -73.74 -56.2 10.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.52 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -65.33 -6.05 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -131.13 12.72 5.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.516 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 91.3 m95 -137.89 167.15 22.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 56' ' ' ARG . 5.6 m-85 -149.82 173.69 13.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.981 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -144.3 125.75 14.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.25 -155.46 7.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -132.75 147.72 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.472 ' HB3' HD21 ' A' ' 24' ' ' LEU . 38.2 t-80 -160.06 123.54 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 58.36 53.47 6.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.71 31.96 58.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -133.35 164.02 28.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.9 t -141.33 143.25 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.55 -146.12 5.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.7 pt -137.01 156.77 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' A' ' 26' ' ' LEU . 7.0 p90 -160.0 153.3 18.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.67 0.747 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.516 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.76 142.72 48.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 5.5 ptm180 -74.31 -17.69 60.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -2.11 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.445 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.8 m-85 -107.91 -27.01 10.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.698 HD12 ' C ' ' A' ' 59' ' ' ILE . 1.8 pp -108.27 170.9 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' N ' HD12 ' A' ' 59' ' ' ILE . 12.0 tp10 -133.5 111.96 11.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.17 127.11 29.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 9' ' ' PRO . 38.0 mt -89.54 45.23 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.6 p -88.27 38.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.01 169.0 12.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.525 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 172.47 12.52 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.729 2.286 . . . . 0.0 112.362 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.6 p -128.76 172.48 11.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.829 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.1 t -111.17 109.38 19.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -160.67 142.81 12.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -88.06 94.88 9.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.55 130.32 10.27 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.449 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -78.95 82.22 5.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.922 0.391 . . . . 0.0 110.897 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -46.42 144.67 2.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.79 172.36 1.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.425 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.489 ' HD2' ' CD2' ' A' ' 61' ' ' LEU . 6.6 ptp85 -116.94 153.2 49.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.4 66.49 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.75 128.35 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -97.28 134.67 40.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.0 110.72 17.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 26.2 mmmt -66.42 -36.71 83.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 13' ' ' LYS . 4.2 m-85 -140.92 145.35 35.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -63.56 111.55 2.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CE1' ' CD ' ' A' ' 55' ' ' PRO . 80.5 t80 -88.48 149.81 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -116.89 114.26 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.14 112.2 19.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -65.6 -40.25 92.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.0 p -132.46 -175.42 3.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.38 -41.99 98.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 5.0 ttpm? -43.68 -42.14 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -95.65 160.84 14.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.547 HD12 ' HD2' ' A' ' 25' ' ' PRO . 3.4 tp -125.36 132.74 24.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.631 0.729 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.547 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.7 141.9 46.71 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD11 ' CG ' ' A' ' 54' ' ' PHE . 36.8 mt -129.13 159.55 35.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' HB2' ' CG ' ' A' ' 30' ' ' ASP . 57.6 mt-30 -131.59 137.98 48.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -49.16 113.56 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.71 36.41 6.86 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.498 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' OD2' ' NE2' ' A' ' 47' ' ' HIS . 1.1 m-20 -111.29 132.39 54.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.328 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.36 102.19 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.497 HG12 ' HB2' ' A' ' 47' ' ' HIS . 28.5 m -106.02 157.55 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -108.97 107.31 17.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.2 mt -73.96 110.34 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -76.57 -48.83 18.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -145.17 178.79 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -112.56 130.75 55.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.7 mm -88.85 -46.27 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -152.08 177.38 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -65.08 -12.89 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -131.87 14.6 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -140.97 147.69 39.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -135.34 179.05 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -139.77 136.66 34.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.49 -156.06 8.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -133.18 150.33 52.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.497 ' HB2' HG12 ' A' ' 32' ' ' VAL . 44.2 t-80 -163.83 125.88 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 55.71 50.69 13.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.09 36.73 68.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -137.91 148.48 45.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.96 134.72 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.05 -171.47 40.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 pt -110.15 162.64 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CG ' HD11 ' A' ' 26' ' ' LEU . 11.5 p90 -160.2 151.34 15.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.667 0.746 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.75 138.54 38.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -38.98 92.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -15.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.2 m-85 -92.38 -30.25 15.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 60' ' ' GLU . 2.2 pp -108.64 178.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.538 ' N ' HD12 ' A' ' 59' ' ' ILE . 11.6 tp10 -143.83 116.82 8.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' CD2' ' HD2' ' A' ' 8' ' ' ARG . 38.3 mt -62.48 106.66 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.35 -48.75 60.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.3 p -54.56 137.23 43.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.07 83.37 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 139.93 41.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.351 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -46.58 132.66 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 p 41.75 46.93 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.997 . . . . . . . . 0 0 . 1 stop_ save_